USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) HEADER DNA BINDING PROTEIN 11-JAN-01 1GHT TITLE SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF GAMMA DELTA TITLE 2 RESOLVASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSPOSON GAMMA-DELTA RESOLVASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL CATALYTIC DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PDJ1.3 KEYWDS RECOMBINASE, CATALYTIC DOMAIN, MIXED ALPHA BETA, MONOMER, KEYWDS 2 DNA BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR B.PAN,G.P.MULLEN REVDAT 2 24-FEB-09 1GHT 1 VERSN REVDAT 1 01-AUG-01 1GHT 0 JRNL AUTH B.PAN,M.W.MACIEJEWSKI,A.MARINTCHEV,G.P.MULLEN JRNL TITL SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF JRNL TITL 2 GAMMADELTA RESOLVASE. IMPLICATIONS FOR THE JRNL TITL 3 MECHANISM OF CATALYSIS. JRNL REF J.MOL.BIOL. V. 310 1089 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11501998 JRNL DOI 10.1006/JMBI.2001.4821 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.PAN,G.P.MULLEN REMARK 1 TITL 1H, 15N AND 13C RESONANCE ASSIGNMENTS FOR THE REMARK 1 TITL 2 CATALYTIC CORE OF GAMMA DELTA RESOLVASE REMARK 1 REF J.BIOMOL.NMR V. 13 307 1999 REMARK 1 REFN ISSN 0925-2738 REMARK 1 DOI 10.1023/A:1008316603457 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR 4.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE NMR RESTRAINTS INCLUDED 2109 REMARK 3 USEFUL NOE DETERMINED UPPER DISTANCE RESTRAINTS, 35 HYDROGEN REMARK 3 BONDS, AND 297 TORSION ANGLE RESTRAINTS. STRUCTURES WERE REMARK 3 CALCULATED IN THE DYANA USING TORSION ANGLE DYNAMICS. THE REMARK 3 CALCULATION STARTED WITH 200 RANDOMIZED STRUCTURES. THE 19 REMARK 3 STRUCTURES WITH THE LOWEST TARGET FUNCTION WERE REFINED WITHIN REMARK 3 XPLOR USING SIMULATED ANNEALING. THE 19 REFINED STRUCTURAL REMARK 3 CONFORMERS DISPLAYED NO NOE VIOLATIONS >0.3 ANGSTROMS AND NO REMARK 3 DIHEDRAL ANGLE VIOLATIONS >3 DEGREES. THE MINIMIZED AVERAGE REMARK 3 STRUCTURE WAS CALCULATED FROM THE MEAN POSITIONS OF THE REMARK 3 COORDINATES FOR THE 19 STRUCTURAL CONFORMERS AND WAS REFINED REMARK 3 BY POWELL ENERGY MINIMIZATION IN XPLOR USING FULL NMR REMARK 3 RESTRAINTS. REMARK 4 REMARK 4 1GHT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JAN-01. REMARK 100 THE RCSB ID CODE IS RCSB001526. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.00 REMARK 210 PH : 6.50 REMARK 210 IONIC STRENGTH : 1M REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 0.002 M GAMMA DELTA RESOLVASE REMARK 210 (1-105) U-15N; 0.020 M REMARK 210 PHOSPHATE BUFFER, PH 6.5; 90% REMARK 210 H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, HNHA, REMARK 210 3D_13C-SEPARATED_ NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 6.1, NMRPIPE 1.7, XEASY REMARK 210 1.3.13, DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE- RESONANCE 3D REMARK 210 NMR SPECTROSCOPY FOR RESONANCE ASSIGNMENTS AND DOUBLE- REMARK 210 RESONANCE 3D NMR SPECTROSCOPY FOR OBTAINING NOESY DATA. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 12 53.60 -114.08 REMARK 500 GLN A 13 -57.51 -133.11 REMARK 500 GLN A 14 40.71 -174.74 REMARK 500 ARG A 32 65.56 -112.37 REMARK 500 ASP A 67 -75.97 -138.06 REMARK 500 ARG A 68 138.60 179.85 REMARK 500 ARG A 71 -59.47 -171.76 REMARK 500 ASP A 72 -65.58 -124.01 REMARK 500 ASP A 95 -44.04 -137.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HX7 RELATED DB: PDB REMARK 900 1HX7 IS GAMMA-DELTA RESOLVASE (19 MODELS) REMARK 900 RELATED ID: 4269 RELATED DB: BMRB REMARK 900 4269 IS THE 1H, 15N AND 13C CHEMICAL SHIFT ASSIGNMENTS FOR REMARK 900 THE CATALYTIC CORE OF GAMMA DELTA RESOLVASE DBREF 1GHT A 1 105 UNP P03012 TNR1_ECOLI 1 105 SEQRES 1 A 105 MET ARG LEU PHE GLY TYR ALA ARG VAL SER THR SER GLN SEQRES 2 A 105 GLN SER LEU ASP ILE GLN VAL ARG ALA LEU LYS ASP ALA SEQRES 3 A 105 GLY VAL LYS ALA ASN ARG ILE PHE THR ASP LYS ALA SER SEQRES 4 A 105 GLY SER SER SER ASP ARG LYS GLY LEU ASP LEU LEU ARG SEQRES 5 A 105 MET LYS VAL GLU GLU GLY ASP VAL ILE LEU VAL LYS LYS SEQRES 6 A 105 LEU ASP ARG LEU GLY ARG ASP THR ALA ASP MET ILE GLN SEQRES 7 A 105 LEU ILE LYS GLU PHE ASP ALA GLN GLY VAL SER ILE ARG SEQRES 8 A 105 PHE ILE ASP ASP GLY ILE SER THR ASP GLY GLU MET GLY SEQRES 9 A 105 LYS HELIX 1 1 GLN A 14 GLY A 27 1 14 HELIX 2 2 LYS A 29 ASN A 31 5 3 HELIX 3 3 LYS A 46 VAL A 55 1 10 HELIX 4 4 ALA A 74 GLN A 86 1 13 SHEET 1 A 3 ILE A 33 PHE A 34 0 SHEET 2 A 3 LEU A 3 TYR A 6 1 O GLY A 5 N PHE A 34 SHEET 3 A 3 VAL A 60 VAL A 63 1 O VAL A 60 N PHE A 4 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot 160:sc= 0.3 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.139) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0191 (180deg=0) USER MOD Single : A 6 TYR OH : rot 1:sc= 1.23 USER MOD Single : A 10 SER OG : rot -129:sc= -1.05 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 SER OG : rot 179:sc= -2.63 USER MOD Single : A 19 GLN : amide:sc= -2.1 K(o=-2.1,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= -1.73 (180deg=-4.79!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 35 THR OG1 : rot 150:sc= -0.32 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0521 USER MOD Single : A 42 SER OG : rot 33:sc= 0.233 USER MOD Single : A 43 SER OG : rot 180:sc= 0.102 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -152:sc= -2.73! (180deg=-5.43!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.126 (180deg=-0.815) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= -0.0434 (180deg=-0.398) USER MOD Single : A 86 GLN : amide:sc= -0.409 K(o=-0.41,f=-3.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -38:sc= 0.239 USER MOD Single : A 99 THR OG1 : rot 140:sc= -0.859 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.884 15.046 5.062 1.00 1.26 N ATOM 2 CA MET A 1 -2.370 13.650 5.154 1.00 0.74 C ATOM 3 C MET A 1 -3.347 12.800 5.969 1.00 0.63 C ATOM 4 O MET A 1 -3.904 13.251 6.951 1.00 0.80 O ATOM 5 CB MET A 1 -1.002 13.656 5.841 1.00 0.75 C ATOM 6 CG MET A 1 -0.404 12.248 5.803 1.00 0.64 C ATOM 7 SD MET A 1 0.816 12.074 7.127 1.00 0.93 S ATOM 8 CE MET A 1 0.676 10.281 7.332 1.00 0.70 C ATOM 0 H1 MET A 1 -2.112 15.714 5.261 1.00 1.26 H new ATOM 0 H2 MET A 1 -3.252 15.218 4.105 1.00 1.26 H new ATOM 0 H3 MET A 1 -3.647 15.182 5.756 1.00 1.26 H new ATOM 0 HA MET A 1 -2.272 13.231 4.153 1.00 0.74 H new ATOM 0 HB2 MET A 1 -0.336 14.359 5.341 1.00 0.75 H new ATOM 0 HB3 MET A 1 -1.103 13.992 6.873 1.00 0.75 H new ATOM 0 HG2 MET A 1 -1.192 11.504 5.920 1.00 0.64 H new ATOM 0 HG3 MET A 1 0.065 12.067 4.836 1.00 0.64 H new ATOM 0 HE1 MET A 1 1.261 9.967 8.196 1.00 0.70 H new ATOM 0 HE2 MET A 1 -0.369 10.013 7.484 1.00 0.70 H new ATOM 0 HE3 MET A 1 1.052 9.782 6.439 1.00 0.70 H new ATOM 18 N ARG A 2 -3.553 11.571 5.567 1.00 0.43 N ATOM 19 CA ARG A 2 -4.490 10.680 6.313 1.00 0.39 C ATOM 20 C ARG A 2 -3.987 9.237 6.243 1.00 0.34 C ATOM 21 O ARG A 2 -3.074 8.926 5.502 1.00 0.37 O ATOM 22 CB ARG A 2 -5.887 10.768 5.688 1.00 0.43 C ATOM 23 CG ARG A 2 -6.728 11.797 6.452 1.00 0.85 C ATOM 24 CD ARG A 2 -7.579 12.601 5.466 1.00 1.03 C ATOM 25 NE ARG A 2 -8.122 13.813 6.153 1.00 1.37 N ATOM 26 CZ ARG A 2 -8.595 14.838 5.471 1.00 1.74 C ATOM 27 NH1 ARG A 2 -8.614 14.841 4.157 1.00 2.27 N ATOM 28 NH2 ARG A 2 -9.055 15.873 6.117 1.00 2.37 N ATOM 0 H ARG A 2 -3.111 11.146 4.752 1.00 0.43 H new ATOM 0 HA ARG A 2 -4.539 10.996 7.355 1.00 0.39 H new ATOM 0 HB2 ARG A 2 -5.810 11.053 4.639 1.00 0.43 H new ATOM 0 HB3 ARG A 2 -6.372 9.792 5.718 1.00 0.43 H new ATOM 0 HG2 ARG A 2 -7.370 11.292 7.174 1.00 0.85 H new ATOM 0 HG3 ARG A 2 -6.078 12.466 7.016 1.00 0.85 H new ATOM 0 HD2 ARG A 2 -6.978 12.896 4.606 1.00 1.03 H new ATOM 0 HD3 ARG A 2 -8.396 11.986 5.088 1.00 1.03 H new ATOM 0 HE ARG A 2 -8.127 13.848 7.172 1.00 1.37 H new ATOM 0 HH11 ARG A 2 -8.257 14.037 3.640 1.00 2.27 H new ATOM 0 HH12 ARG A 2 -8.985 15.647 3.654 1.00 2.27 H new ATOM 0 HH21 ARG A 2 -9.046 15.883 7.137 1.00 2.37 H new ATOM 0 HH22 ARG A 2 -9.424 16.673 5.602 1.00 2.37 H new ATOM 42 N LEU A 3 -4.575 8.357 7.015 1.00 0.33 N ATOM 43 CA LEU A 3 -4.133 6.931 7.004 1.00 0.33 C ATOM 44 C LEU A 3 -5.179 6.072 6.289 1.00 0.30 C ATOM 45 O LEU A 3 -6.024 5.459 6.917 1.00 0.32 O ATOM 46 CB LEU A 3 -3.966 6.437 8.441 1.00 0.40 C ATOM 47 CG LEU A 3 -3.025 7.375 9.200 1.00 0.50 C ATOM 48 CD1 LEU A 3 -3.844 8.430 9.945 1.00 0.92 C ATOM 49 CD2 LEU A 3 -2.205 6.566 10.208 1.00 0.74 C ATOM 0 H LEU A 3 -5.343 8.566 7.653 1.00 0.33 H new ATOM 0 HA LEU A 3 -3.181 6.854 6.479 1.00 0.33 H new ATOM 0 HB2 LEU A 3 -4.935 6.398 8.938 1.00 0.40 H new ATOM 0 HB3 LEU A 3 -3.565 5.423 8.444 1.00 0.40 H new ATOM 0 HG LEU A 3 -2.356 7.866 8.493 1.00 0.50 H new ATOM 0 HD11 LEU A 3 -3.172 9.097 10.485 1.00 0.92 H new ATOM 0 HD12 LEU A 3 -4.431 9.007 9.230 1.00 0.92 H new ATOM 0 HD13 LEU A 3 -4.513 7.939 10.652 1.00 0.92 H new ATOM 0 HD21 LEU A 3 -1.534 7.233 10.750 1.00 0.74 H new ATOM 0 HD22 LEU A 3 -2.876 6.076 10.913 1.00 0.74 H new ATOM 0 HD23 LEU A 3 -1.620 5.813 9.680 1.00 0.74 H new ATOM 61 N PHE A 4 -5.122 6.018 4.982 1.00 0.30 N ATOM 62 CA PHE A 4 -6.103 5.193 4.218 1.00 0.30 C ATOM 63 C PHE A 4 -5.628 3.740 4.203 1.00 0.30 C ATOM 64 O PHE A 4 -4.442 3.469 4.160 1.00 0.36 O ATOM 65 CB PHE A 4 -6.199 5.715 2.782 1.00 0.34 C ATOM 66 CG PHE A 4 -7.112 6.918 2.742 1.00 0.33 C ATOM 67 CD1 PHE A 4 -6.596 8.197 2.976 1.00 1.29 C ATOM 68 CD2 PHE A 4 -8.476 6.753 2.469 1.00 1.22 C ATOM 69 CE1 PHE A 4 -7.440 9.312 2.938 1.00 1.35 C ATOM 70 CE2 PHE A 4 -9.321 7.868 2.432 1.00 1.25 C ATOM 71 CZ PHE A 4 -8.804 9.148 2.665 1.00 0.59 C ATOM 0 H PHE A 4 -4.436 6.512 4.411 1.00 0.30 H new ATOM 0 HA PHE A 4 -7.084 5.254 4.690 1.00 0.30 H new ATOM 0 HB2 PHE A 4 -5.209 5.985 2.415 1.00 0.34 H new ATOM 0 HB3 PHE A 4 -6.581 4.934 2.125 1.00 0.34 H new ATOM 0 HD1 PHE A 4 -5.544 8.324 3.186 1.00 1.29 H new ATOM 0 HD2 PHE A 4 -8.875 5.766 2.287 1.00 1.22 H new ATOM 0 HE1 PHE A 4 -7.040 10.299 3.119 1.00 1.35 H new ATOM 0 HE2 PHE A 4 -10.373 7.741 2.223 1.00 1.25 H new ATOM 0 HZ PHE A 4 -9.456 10.008 2.634 1.00 0.59 H new ATOM 81 N GLY A 5 -6.542 2.802 4.246 1.00 0.30 N ATOM 82 CA GLY A 5 -6.142 1.365 4.243 1.00 0.34 C ATOM 83 C GLY A 5 -6.971 0.590 3.217 1.00 0.34 C ATOM 84 O GLY A 5 -8.186 0.663 3.199 1.00 0.49 O ATOM 0 H GLY A 5 -7.547 2.972 4.283 1.00 0.30 H new ATOM 0 HA2 GLY A 5 -5.082 1.275 4.008 1.00 0.34 H new ATOM 0 HA3 GLY A 5 -6.285 0.938 5.235 1.00 0.34 H new ATOM 88 N TYR A 6 -6.314 -0.156 2.370 1.00 0.26 N ATOM 89 CA TYR A 6 -7.035 -0.956 1.339 1.00 0.24 C ATOM 90 C TYR A 6 -7.239 -2.377 1.877 1.00 0.24 C ATOM 91 O TYR A 6 -6.342 -2.960 2.459 1.00 0.28 O ATOM 92 CB TYR A 6 -6.186 -0.984 0.060 1.00 0.26 C ATOM 93 CG TYR A 6 -6.849 -1.831 -1.003 1.00 0.27 C ATOM 94 CD1 TYR A 6 -8.179 -1.592 -1.370 1.00 1.26 C ATOM 95 CD2 TYR A 6 -6.124 -2.856 -1.620 1.00 1.19 C ATOM 96 CE1 TYR A 6 -8.782 -2.382 -2.358 1.00 1.28 C ATOM 97 CE2 TYR A 6 -6.726 -3.645 -2.606 1.00 1.21 C ATOM 98 CZ TYR A 6 -8.054 -3.409 -2.975 1.00 0.37 C ATOM 99 OH TYR A 6 -8.645 -4.188 -3.949 1.00 0.45 O ATOM 0 H TYR A 6 -5.298 -0.246 2.349 1.00 0.26 H new ATOM 0 HA TYR A 6 -8.007 -0.517 1.114 1.00 0.24 H new ATOM 0 HB2 TYR A 6 -6.046 0.031 -0.312 1.00 0.26 H new ATOM 0 HB3 TYR A 6 -5.196 -1.381 0.283 1.00 0.26 H new ATOM 0 HD1 TYR A 6 -8.739 -0.801 -0.893 1.00 1.26 H new ATOM 0 HD2 TYR A 6 -5.098 -3.038 -1.335 1.00 1.19 H new ATOM 0 HE1 TYR A 6 -9.807 -2.200 -2.644 1.00 1.28 H new ATOM 0 HE2 TYR A 6 -6.165 -4.436 -3.082 1.00 1.21 H new ATOM 0 HH TYR A 6 -9.564 -3.883 -4.099 1.00 0.45 H new ATOM 109 N ALA A 7 -8.411 -2.934 1.698 1.00 0.26 N ATOM 110 CA ALA A 7 -8.673 -4.312 2.212 1.00 0.28 C ATOM 111 C ALA A 7 -9.479 -5.118 1.189 1.00 0.32 C ATOM 112 O ALA A 7 -10.164 -4.572 0.347 1.00 0.79 O ATOM 113 CB ALA A 7 -9.465 -4.224 3.521 1.00 0.36 C ATOM 0 H ALA A 7 -9.196 -2.494 1.219 1.00 0.26 H new ATOM 0 HA ALA A 7 -7.719 -4.811 2.385 1.00 0.28 H new ATOM 0 HB1 ALA A 7 -9.657 -5.228 3.898 1.00 0.36 H new ATOM 0 HB2 ALA A 7 -8.889 -3.664 4.258 1.00 0.36 H new ATOM 0 HB3 ALA A 7 -10.413 -3.717 3.340 1.00 0.36 H new ATOM 119 N ARG A 8 -9.408 -6.418 1.280 1.00 0.54 N ATOM 120 CA ARG A 8 -10.171 -7.300 0.349 1.00 0.54 C ATOM 121 C ARG A 8 -10.376 -8.647 1.045 1.00 0.56 C ATOM 122 O ARG A 8 -9.445 -9.218 1.581 1.00 0.70 O ATOM 123 CB ARG A 8 -9.389 -7.503 -0.952 1.00 0.57 C ATOM 124 CG ARG A 8 -10.233 -8.331 -1.926 1.00 0.83 C ATOM 125 CD ARG A 8 -9.916 -7.922 -3.366 1.00 0.62 C ATOM 126 NE ARG A 8 -8.547 -8.404 -3.732 1.00 0.96 N ATOM 127 CZ ARG A 8 -8.179 -8.548 -4.991 1.00 1.33 C ATOM 128 NH1 ARG A 8 -8.989 -8.259 -5.984 1.00 1.91 N ATOM 129 NH2 ARG A 8 -6.978 -8.984 -5.257 1.00 1.62 N ATOM 0 H ARG A 8 -8.845 -6.914 1.971 1.00 0.54 H new ATOM 0 HA ARG A 8 -11.130 -6.844 0.101 1.00 0.54 H new ATOM 0 HB2 ARG A 8 -9.142 -6.538 -1.396 1.00 0.57 H new ATOM 0 HB3 ARG A 8 -8.446 -8.010 -0.748 1.00 0.57 H new ATOM 0 HG2 ARG A 8 -10.028 -9.393 -1.787 1.00 0.83 H new ATOM 0 HG3 ARG A 8 -11.293 -8.181 -1.721 1.00 0.83 H new ATOM 0 HD2 ARG A 8 -10.656 -8.344 -4.046 1.00 0.62 H new ATOM 0 HD3 ARG A 8 -9.971 -6.838 -3.468 1.00 0.62 H new ATOM 0 HE ARG A 8 -7.883 -8.626 -2.991 1.00 0.96 H new ATOM 0 HH11 ARG A 8 -9.929 -7.914 -5.791 1.00 1.91 H new ATOM 0 HH12 ARG A 8 -8.678 -8.380 -6.948 1.00 1.91 H new ATOM 0 HH21 ARG A 8 -6.337 -9.209 -4.496 1.00 1.62 H new ATOM 0 HH22 ARG A 8 -6.680 -9.100 -6.226 1.00 1.62 H new ATOM 143 N VAL A 9 -11.587 -9.145 1.068 1.00 0.51 N ATOM 144 CA VAL A 9 -11.842 -10.440 1.765 1.00 0.53 C ATOM 145 C VAL A 9 -11.559 -11.627 0.841 1.00 0.54 C ATOM 146 O VAL A 9 -11.790 -11.574 -0.352 1.00 0.76 O ATOM 147 CB VAL A 9 -13.298 -10.497 2.246 1.00 0.56 C ATOM 148 CG1 VAL A 9 -13.569 -9.322 3.186 1.00 0.63 C ATOM 149 CG2 VAL A 9 -14.254 -10.425 1.049 1.00 0.57 C ATOM 0 H VAL A 9 -12.404 -8.713 0.637 1.00 0.51 H new ATOM 0 HA VAL A 9 -11.171 -10.502 2.622 1.00 0.53 H new ATOM 0 HB VAL A 9 -13.461 -11.436 2.774 1.00 0.56 H new ATOM 0 HG11 VAL A 9 -14.603 -9.361 3.529 1.00 0.63 H new ATOM 0 HG12 VAL A 9 -12.900 -9.381 4.044 1.00 0.63 H new ATOM 0 HG13 VAL A 9 -13.398 -8.385 2.656 1.00 0.63 H new ATOM 0 HG21 VAL A 9 -15.284 -10.466 1.403 1.00 0.57 H new ATOM 0 HG22 VAL A 9 -14.093 -9.491 0.510 1.00 0.57 H new ATOM 0 HG23 VAL A 9 -14.066 -11.266 0.382 1.00 0.57 H new ATOM 159 N SER A 10 -11.072 -12.701 1.405 1.00 0.49 N ATOM 160 CA SER A 10 -10.776 -13.918 0.599 1.00 0.52 C ATOM 161 C SER A 10 -11.604 -15.087 1.142 1.00 0.56 C ATOM 162 O SER A 10 -12.119 -15.895 0.393 1.00 0.90 O ATOM 163 CB SER A 10 -9.289 -14.252 0.704 1.00 0.62 C ATOM 164 OG SER A 10 -8.883 -14.966 -0.457 1.00 1.00 O ATOM 0 H SER A 10 -10.865 -12.786 2.400 1.00 0.49 H new ATOM 0 HA SER A 10 -11.030 -13.740 -0.446 1.00 0.52 H new ATOM 0 HB2 SER A 10 -8.705 -13.337 0.804 1.00 0.62 H new ATOM 0 HB3 SER A 10 -9.101 -14.849 1.596 1.00 0.62 H new ATOM 0 HG SER A 10 -8.409 -15.781 -0.191 1.00 1.00 H new ATOM 170 N THR A 11 -11.734 -15.178 2.445 1.00 0.58 N ATOM 171 CA THR A 11 -12.529 -16.288 3.049 1.00 0.58 C ATOM 172 C THR A 11 -14.010 -15.896 3.081 1.00 0.56 C ATOM 173 O THR A 11 -14.366 -14.768 2.797 1.00 0.73 O ATOM 174 CB THR A 11 -12.029 -16.573 4.473 1.00 0.71 C ATOM 175 OG1 THR A 11 -12.811 -17.613 5.045 1.00 1.12 O ATOM 176 CG2 THR A 11 -12.144 -15.315 5.341 1.00 0.53 C ATOM 0 H THR A 11 -11.322 -14.529 3.115 1.00 0.58 H new ATOM 0 HA THR A 11 -12.409 -17.189 2.447 1.00 0.58 H new ATOM 0 HB THR A 11 -10.983 -16.875 4.427 1.00 0.71 H new ATOM 0 HG1 THR A 11 -12.494 -17.799 5.953 1.00 1.12 H new ATOM 0 HG21 THR A 11 -11.786 -15.533 6.347 1.00 0.53 H new ATOM 0 HG22 THR A 11 -11.542 -14.517 4.907 1.00 0.53 H new ATOM 0 HG23 THR A 11 -13.186 -14.999 5.387 1.00 0.53 H new ATOM 184 N SER A 12 -14.873 -16.824 3.415 1.00 0.67 N ATOM 185 CA SER A 12 -16.333 -16.514 3.458 1.00 0.73 C ATOM 186 C SER A 12 -16.842 -16.609 4.902 1.00 0.70 C ATOM 187 O SER A 12 -17.801 -17.302 5.193 1.00 1.27 O ATOM 188 CB SER A 12 -17.088 -17.514 2.577 1.00 1.01 C ATOM 189 OG SER A 12 -17.115 -17.034 1.240 1.00 1.63 O ATOM 0 H SER A 12 -14.628 -17.783 3.660 1.00 0.67 H new ATOM 0 HA SER A 12 -16.501 -15.503 3.088 1.00 0.73 H new ATOM 0 HB2 SER A 12 -16.603 -18.489 2.616 1.00 1.01 H new ATOM 0 HB3 SER A 12 -18.104 -17.648 2.948 1.00 1.01 H new ATOM 0 HG SER A 12 -17.596 -17.672 0.673 1.00 1.63 H new ATOM 195 N GLN A 13 -16.209 -15.907 5.807 1.00 0.89 N ATOM 196 CA GLN A 13 -16.649 -15.940 7.234 1.00 0.87 C ATOM 197 C GLN A 13 -16.718 -14.511 7.772 1.00 0.83 C ATOM 198 O GLN A 13 -17.749 -14.057 8.230 1.00 1.51 O ATOM 199 CB GLN A 13 -15.644 -16.749 8.059 1.00 1.07 C ATOM 200 CG GLN A 13 -16.168 -16.910 9.488 1.00 1.45 C ATOM 201 CD GLN A 13 -15.421 -18.051 10.180 1.00 1.96 C ATOM 202 OE1 GLN A 13 -14.278 -18.322 9.868 1.00 2.57 O ATOM 203 NE2 GLN A 13 -16.021 -18.735 11.116 1.00 2.46 N ATOM 0 H GLN A 13 -15.404 -15.310 5.618 1.00 0.89 H new ATOM 0 HA GLN A 13 -17.632 -16.405 7.304 1.00 0.87 H new ATOM 0 HB2 GLN A 13 -15.489 -17.728 7.605 1.00 1.07 H new ATOM 0 HB3 GLN A 13 -14.677 -16.246 8.069 1.00 1.07 H new ATOM 0 HG2 GLN A 13 -16.031 -15.982 10.043 1.00 1.45 H new ATOM 0 HG3 GLN A 13 -17.238 -17.118 9.473 1.00 1.45 H new ATOM 0 HE21 GLN A 13 -16.980 -18.508 11.378 1.00 2.46 H new ATOM 0 HE22 GLN A 13 -15.531 -19.496 11.585 1.00 2.46 H new ATOM 212 N GLN A 14 -15.622 -13.801 7.712 1.00 0.70 N ATOM 213 CA GLN A 14 -15.598 -12.395 8.207 1.00 0.65 C ATOM 214 C GLN A 14 -14.232 -11.788 7.887 1.00 0.65 C ATOM 215 O GLN A 14 -13.650 -11.079 8.685 1.00 1.08 O ATOM 216 CB GLN A 14 -15.832 -12.378 9.720 1.00 0.81 C ATOM 217 CG GLN A 14 -14.823 -13.300 10.408 1.00 1.14 C ATOM 218 CD GLN A 14 -15.116 -13.347 11.909 1.00 1.75 C ATOM 219 OE1 GLN A 14 -15.663 -12.414 12.462 1.00 2.40 O ATOM 220 NE2 GLN A 14 -14.775 -14.403 12.595 1.00 2.18 N ATOM 0 H GLN A 14 -14.735 -14.139 7.338 1.00 0.70 H new ATOM 0 HA GLN A 14 -16.384 -11.815 7.723 1.00 0.65 H new ATOM 0 HB2 GLN A 14 -15.730 -11.362 10.102 1.00 0.81 H new ATOM 0 HB3 GLN A 14 -16.848 -12.703 9.944 1.00 0.81 H new ATOM 0 HG2 GLN A 14 -14.882 -14.302 9.984 1.00 1.14 H new ATOM 0 HG3 GLN A 14 -13.809 -12.940 10.236 1.00 1.14 H new ATOM 0 HE21 GLN A 14 -14.316 -15.186 12.131 1.00 2.18 H new ATOM 0 HE22 GLN A 14 -14.968 -14.445 13.596 1.00 2.18 H new ATOM 229 N SER A 15 -13.718 -12.075 6.719 1.00 0.55 N ATOM 230 CA SER A 15 -12.381 -11.540 6.318 1.00 0.53 C ATOM 231 C SER A 15 -12.392 -10.008 6.358 1.00 0.43 C ATOM 232 O SER A 15 -11.395 -9.388 6.671 1.00 0.44 O ATOM 233 CB SER A 15 -12.032 -12.015 4.900 1.00 0.68 C ATOM 234 OG SER A 15 -13.042 -12.892 4.417 1.00 1.64 O ATOM 0 H SER A 15 -14.171 -12.663 6.019 1.00 0.55 H new ATOM 0 HA SER A 15 -11.631 -11.910 7.017 1.00 0.53 H new ATOM 0 HB2 SER A 15 -11.935 -11.157 4.234 1.00 0.68 H new ATOM 0 HB3 SER A 15 -11.069 -12.525 4.905 1.00 0.68 H new ATOM 0 HG SER A 15 -12.820 -13.176 3.506 1.00 1.64 H new ATOM 240 N LEU A 16 -13.508 -9.391 6.045 1.00 0.39 N ATOM 241 CA LEU A 16 -13.574 -7.896 6.072 1.00 0.33 C ATOM 242 C LEU A 16 -13.274 -7.414 7.499 1.00 0.30 C ATOM 243 O LEU A 16 -12.544 -6.462 7.699 1.00 0.29 O ATOM 244 CB LEU A 16 -14.973 -7.439 5.614 1.00 0.33 C ATOM 245 CG LEU A 16 -15.172 -5.935 5.883 1.00 0.34 C ATOM 246 CD1 LEU A 16 -15.784 -5.264 4.654 1.00 0.59 C ATOM 247 CD2 LEU A 16 -16.111 -5.746 7.078 1.00 0.47 C ATOM 0 H LEU A 16 -14.373 -9.858 5.773 1.00 0.39 H new ATOM 0 HA LEU A 16 -12.836 -7.467 5.394 1.00 0.33 H new ATOM 0 HB2 LEU A 16 -15.097 -7.642 4.550 1.00 0.33 H new ATOM 0 HB3 LEU A 16 -15.738 -8.011 6.139 1.00 0.33 H new ATOM 0 HG LEU A 16 -14.204 -5.483 6.100 1.00 0.34 H new ATOM 0 HD11 LEU A 16 -15.922 -4.201 4.851 1.00 0.59 H new ATOM 0 HD12 LEU A 16 -15.118 -5.392 3.800 1.00 0.59 H new ATOM 0 HD13 LEU A 16 -16.749 -5.720 4.433 1.00 0.59 H new ATOM 0 HD21 LEU A 16 -16.250 -4.681 7.266 1.00 0.47 H new ATOM 0 HD22 LEU A 16 -17.075 -6.205 6.859 1.00 0.47 H new ATOM 0 HD23 LEU A 16 -15.677 -6.217 7.960 1.00 0.47 H new ATOM 259 N ASP A 17 -13.822 -8.078 8.485 1.00 0.33 N ATOM 260 CA ASP A 17 -13.557 -7.676 9.895 1.00 0.34 C ATOM 261 C ASP A 17 -12.084 -7.936 10.205 1.00 0.32 C ATOM 262 O ASP A 17 -11.383 -7.082 10.713 1.00 0.33 O ATOM 263 CB ASP A 17 -14.433 -8.504 10.837 1.00 0.40 C ATOM 264 CG ASP A 17 -14.830 -7.652 12.045 1.00 0.46 C ATOM 265 OD1 ASP A 17 -15.330 -6.559 11.836 1.00 1.11 O ATOM 266 OD2 ASP A 17 -14.626 -8.108 13.158 1.00 1.25 O ATOM 0 H ASP A 17 -14.441 -8.881 8.372 1.00 0.33 H new ATOM 0 HA ASP A 17 -13.787 -6.619 10.032 1.00 0.34 H new ATOM 0 HB2 ASP A 17 -15.324 -8.849 10.313 1.00 0.40 H new ATOM 0 HB3 ASP A 17 -13.893 -9.392 11.166 1.00 0.40 H new ATOM 271 N ILE A 18 -11.611 -9.116 9.888 1.00 0.35 N ATOM 272 CA ILE A 18 -10.182 -9.458 10.144 1.00 0.36 C ATOM 273 C ILE A 18 -9.280 -8.506 9.351 1.00 0.34 C ATOM 274 O ILE A 18 -8.245 -8.081 9.827 1.00 0.40 O ATOM 275 CB ILE A 18 -9.922 -10.903 9.698 1.00 0.41 C ATOM 276 CG1 ILE A 18 -10.889 -11.845 10.423 1.00 0.44 C ATOM 277 CG2 ILE A 18 -8.481 -11.296 10.038 1.00 0.51 C ATOM 278 CD1 ILE A 18 -11.274 -12.997 9.493 1.00 0.49 C ATOM 0 H ILE A 18 -12.160 -9.861 9.460 1.00 0.35 H new ATOM 0 HA ILE A 18 -9.965 -9.359 11.208 1.00 0.36 H new ATOM 0 HB ILE A 18 -10.075 -10.980 8.622 1.00 0.41 H new ATOM 0 HG12 ILE A 18 -10.423 -12.235 11.328 1.00 0.44 H new ATOM 0 HG13 ILE A 18 -11.781 -11.300 10.732 1.00 0.44 H new ATOM 0 HG21 ILE A 18 -8.299 -12.323 9.720 1.00 0.51 H new ATOM 0 HG22 ILE A 18 -7.791 -10.629 9.522 1.00 0.51 H new ATOM 0 HG23 ILE A 18 -8.326 -11.217 11.114 1.00 0.51 H new ATOM 0 HD11 ILE A 18 -11.962 -13.667 10.009 1.00 0.49 H new ATOM 0 HD12 ILE A 18 -11.757 -12.598 8.601 1.00 0.49 H new ATOM 0 HD13 ILE A 18 -10.378 -13.548 9.206 1.00 0.49 H new ATOM 290 N GLN A 19 -9.670 -8.173 8.147 1.00 0.31 N ATOM 291 CA GLN A 19 -8.845 -7.251 7.316 1.00 0.32 C ATOM 292 C GLN A 19 -8.797 -5.879 7.986 1.00 0.28 C ATOM 293 O GLN A 19 -7.735 -5.346 8.238 1.00 0.29 O ATOM 294 CB GLN A 19 -9.464 -7.115 5.924 1.00 0.37 C ATOM 295 CG GLN A 19 -8.988 -8.269 5.037 1.00 0.50 C ATOM 296 CD GLN A 19 -7.796 -7.811 4.195 1.00 1.25 C ATOM 297 OE1 GLN A 19 -7.932 -6.956 3.343 1.00 1.81 O ATOM 298 NE2 GLN A 19 -6.624 -8.346 4.401 1.00 2.15 N ATOM 0 H GLN A 19 -10.528 -8.502 7.704 1.00 0.31 H new ATOM 0 HA GLN A 19 -7.836 -7.652 7.222 1.00 0.32 H new ATOM 0 HB2 GLN A 19 -10.552 -7.123 5.996 1.00 0.37 H new ATOM 0 HB3 GLN A 19 -9.181 -6.161 5.480 1.00 0.37 H new ATOM 0 HG2 GLN A 19 -8.704 -9.122 5.654 1.00 0.50 H new ATOM 0 HG3 GLN A 19 -9.799 -8.600 4.388 1.00 0.50 H new ATOM 0 HE21 GLN A 19 -6.510 -9.064 5.116 1.00 2.15 H new ATOM 0 HE22 GLN A 19 -5.822 -8.046 3.847 1.00 2.15 H new ATOM 307 N VAL A 20 -9.944 -5.310 8.286 1.00 0.27 N ATOM 308 CA VAL A 20 -9.987 -3.964 8.953 1.00 0.27 C ATOM 309 C VAL A 20 -9.062 -3.966 10.176 1.00 0.27 C ATOM 310 O VAL A 20 -8.230 -3.093 10.338 1.00 0.28 O ATOM 311 CB VAL A 20 -11.426 -3.665 9.392 1.00 0.28 C ATOM 312 CG1 VAL A 20 -11.495 -2.285 10.051 1.00 0.32 C ATOM 313 CG2 VAL A 20 -12.352 -3.692 8.171 1.00 0.31 C ATOM 0 H VAL A 20 -10.858 -5.722 8.097 1.00 0.27 H new ATOM 0 HA VAL A 20 -9.653 -3.197 8.254 1.00 0.27 H new ATOM 0 HB VAL A 20 -11.743 -4.422 10.109 1.00 0.28 H new ATOM 0 HG11 VAL A 20 -12.520 -2.080 10.360 1.00 0.32 H new ATOM 0 HG12 VAL A 20 -10.842 -2.266 10.924 1.00 0.32 H new ATOM 0 HG13 VAL A 20 -11.172 -1.525 9.339 1.00 0.32 H new ATOM 0 HG21 VAL A 20 -13.374 -3.479 8.485 1.00 0.31 H new ATOM 0 HG22 VAL A 20 -12.029 -2.939 7.453 1.00 0.31 H new ATOM 0 HG23 VAL A 20 -12.313 -4.677 7.706 1.00 0.31 H new ATOM 323 N ARG A 21 -9.185 -4.960 11.021 1.00 0.31 N ATOM 324 CA ARG A 21 -8.296 -5.048 12.221 1.00 0.34 C ATOM 325 C ARG A 21 -6.840 -5.094 11.748 1.00 0.33 C ATOM 326 O ARG A 21 -5.946 -4.606 12.411 1.00 0.35 O ATOM 327 CB ARG A 21 -8.604 -6.327 13.016 1.00 0.38 C ATOM 328 CG ARG A 21 -10.122 -6.496 13.198 1.00 0.76 C ATOM 329 CD ARG A 21 -10.462 -6.588 14.689 1.00 1.57 C ATOM 330 NE ARG A 21 -10.660 -5.214 15.244 1.00 2.35 N ATOM 331 CZ ARG A 21 -11.201 -5.023 16.432 1.00 2.95 C ATOM 332 NH1 ARG A 21 -11.588 -6.030 17.182 1.00 3.02 N ATOM 333 NH2 ARG A 21 -11.354 -3.805 16.873 1.00 3.92 N ATOM 0 H ARG A 21 -9.864 -5.716 10.931 1.00 0.31 H new ATOM 0 HA ARG A 21 -8.464 -4.182 12.861 1.00 0.34 H new ATOM 0 HB2 ARG A 21 -8.196 -7.193 12.495 1.00 0.38 H new ATOM 0 HB3 ARG A 21 -8.118 -6.282 13.990 1.00 0.38 H new ATOM 0 HG2 ARG A 21 -10.647 -5.653 12.748 1.00 0.76 H new ATOM 0 HG3 ARG A 21 -10.461 -7.395 12.683 1.00 0.76 H new ATOM 0 HD2 ARG A 21 -11.365 -7.182 14.830 1.00 1.57 H new ATOM 0 HD3 ARG A 21 -9.660 -7.095 15.225 1.00 1.57 H new ATOM 0 HE ARG A 21 -10.370 -4.407 14.692 1.00 2.35 H new ATOM 0 HH11 ARG A 21 -11.473 -6.987 16.849 1.00 3.02 H new ATOM 0 HH12 ARG A 21 -12.003 -5.854 18.097 1.00 3.02 H new ATOM 0 HH21 ARG A 21 -11.057 -3.014 16.301 1.00 3.92 H new ATOM 0 HH22 ARG A 21 -11.771 -3.643 17.790 1.00 3.92 H new ATOM 347 N ALA A 22 -6.610 -5.669 10.593 1.00 0.33 N ATOM 348 CA ALA A 22 -5.226 -5.745 10.049 1.00 0.34 C ATOM 349 C ALA A 22 -4.790 -4.351 9.595 1.00 0.31 C ATOM 350 O ALA A 22 -3.660 -3.949 9.805 1.00 0.34 O ATOM 351 CB ALA A 22 -5.200 -6.704 8.857 1.00 0.37 C ATOM 0 H ALA A 22 -7.328 -6.090 10.003 1.00 0.33 H new ATOM 0 HA ALA A 22 -4.546 -6.109 10.819 1.00 0.34 H new ATOM 0 HB1 ALA A 22 -4.187 -6.761 8.458 1.00 0.37 H new ATOM 0 HB2 ALA A 22 -5.519 -7.695 9.180 1.00 0.37 H new ATOM 0 HB3 ALA A 22 -5.876 -6.340 8.083 1.00 0.37 H new ATOM 357 N LEU A 23 -5.682 -3.607 8.985 1.00 0.28 N ATOM 358 CA LEU A 23 -5.319 -2.232 8.528 1.00 0.27 C ATOM 359 C LEU A 23 -5.153 -1.340 9.759 1.00 0.28 C ATOM 360 O LEU A 23 -4.213 -0.575 9.860 1.00 0.31 O ATOM 361 CB LEU A 23 -6.419 -1.639 7.624 1.00 0.31 C ATOM 362 CG LEU A 23 -7.000 -2.692 6.660 1.00 0.41 C ATOM 363 CD1 LEU A 23 -7.911 -1.993 5.649 1.00 1.04 C ATOM 364 CD2 LEU A 23 -5.879 -3.416 5.903 1.00 1.11 C ATOM 0 H LEU A 23 -6.641 -3.893 8.786 1.00 0.28 H new ATOM 0 HA LEU A 23 -4.393 -2.284 7.955 1.00 0.27 H new ATOM 0 HB2 LEU A 23 -7.219 -1.234 8.244 1.00 0.31 H new ATOM 0 HB3 LEU A 23 -6.008 -0.808 7.050 1.00 0.31 H new ATOM 0 HG LEU A 23 -7.562 -3.425 7.240 1.00 0.41 H new ATOM 0 HD11 LEU A 23 -8.327 -2.731 4.963 1.00 1.04 H new ATOM 0 HD12 LEU A 23 -8.722 -1.491 6.176 1.00 1.04 H new ATOM 0 HD13 LEU A 23 -7.334 -1.259 5.087 1.00 1.04 H new ATOM 0 HD21 LEU A 23 -6.313 -4.154 5.229 1.00 1.11 H new ATOM 0 HD22 LEU A 23 -5.303 -2.692 5.326 1.00 1.11 H new ATOM 0 HD23 LEU A 23 -5.223 -3.917 6.615 1.00 1.11 H new ATOM 376 N LYS A 24 -6.063 -1.438 10.698 1.00 0.27 N ATOM 377 CA LYS A 24 -5.970 -0.603 11.934 1.00 0.30 C ATOM 378 C LYS A 24 -4.680 -0.954 12.676 1.00 0.33 C ATOM 379 O LYS A 24 -3.942 -0.083 13.097 1.00 0.37 O ATOM 380 CB LYS A 24 -7.187 -0.881 12.830 1.00 0.33 C ATOM 381 CG LYS A 24 -8.001 0.403 13.016 1.00 0.82 C ATOM 382 CD LYS A 24 -8.945 0.586 11.826 1.00 0.60 C ATOM 383 CE LYS A 24 -10.144 -0.354 11.974 1.00 0.87 C ATOM 384 NZ LYS A 24 -10.786 -0.137 13.302 1.00 1.76 N ATOM 0 H LYS A 24 -6.868 -2.063 10.660 1.00 0.27 H new ATOM 0 HA LYS A 24 -5.958 0.455 11.671 1.00 0.30 H new ATOM 0 HB2 LYS A 24 -7.810 -1.655 12.382 1.00 0.33 H new ATOM 0 HB3 LYS A 24 -6.858 -1.257 13.799 1.00 0.33 H new ATOM 0 HG2 LYS A 24 -8.573 0.353 13.943 1.00 0.82 H new ATOM 0 HG3 LYS A 24 -7.333 1.261 13.099 1.00 0.82 H new ATOM 0 HD2 LYS A 24 -9.285 1.620 11.774 1.00 0.60 H new ATOM 0 HD3 LYS A 24 -8.418 0.376 10.895 1.00 0.60 H new ATOM 0 HE2 LYS A 24 -10.864 -0.171 11.176 1.00 0.87 H new ATOM 0 HE3 LYS A 24 -9.821 -1.391 11.880 1.00 0.87 H new ATOM 0 HZ1 LYS A 24 -11.818 -0.226 13.208 1.00 1.76 H new ATOM 0 HZ2 LYS A 24 -10.437 -0.848 13.976 1.00 1.76 H new ATOM 0 HZ3 LYS A 24 -10.551 0.815 13.650 1.00 1.76 H new ATOM 398 N ASP A 25 -4.393 -2.225 12.816 1.00 0.34 N ATOM 399 CA ASP A 25 -3.139 -2.645 13.500 1.00 0.39 C ATOM 400 C ASP A 25 -1.951 -2.066 12.731 1.00 0.39 C ATOM 401 O ASP A 25 -0.939 -1.697 13.297 1.00 0.45 O ATOM 402 CB ASP A 25 -3.050 -4.168 13.487 1.00 0.42 C ATOM 403 CG ASP A 25 -2.190 -4.645 14.658 1.00 0.50 C ATOM 404 OD1 ASP A 25 -2.343 -4.102 15.739 1.00 1.11 O ATOM 405 OD2 ASP A 25 -1.393 -5.545 14.453 1.00 1.28 O ATOM 0 H ASP A 25 -4.979 -2.991 12.483 1.00 0.34 H new ATOM 0 HA ASP A 25 -3.132 -2.287 14.530 1.00 0.39 H new ATOM 0 HB2 ASP A 25 -4.048 -4.601 13.557 1.00 0.42 H new ATOM 0 HB3 ASP A 25 -2.620 -4.509 12.545 1.00 0.42 H new ATOM 410 N ALA A 26 -2.093 -1.980 11.438 1.00 0.36 N ATOM 411 CA ALA A 26 -1.017 -1.424 10.584 1.00 0.40 C ATOM 412 C ALA A 26 -0.912 0.082 10.825 1.00 0.39 C ATOM 413 O ALA A 26 0.155 0.662 10.743 1.00 0.44 O ATOM 414 CB ALA A 26 -1.386 -1.678 9.124 1.00 0.42 C ATOM 0 H ALA A 26 -2.927 -2.278 10.932 1.00 0.36 H new ATOM 0 HA ALA A 26 -0.063 -1.895 10.820 1.00 0.40 H new ATOM 0 HB1 ALA A 26 -0.607 -1.276 8.477 1.00 0.42 H new ATOM 0 HB2 ALA A 26 -1.482 -2.750 8.954 1.00 0.42 H new ATOM 0 HB3 ALA A 26 -2.333 -1.189 8.898 1.00 0.42 H new ATOM 420 N GLY A 27 -2.018 0.718 11.109 1.00 0.35 N ATOM 421 CA GLY A 27 -2.009 2.190 11.345 1.00 0.37 C ATOM 422 C GLY A 27 -3.008 2.836 10.389 1.00 0.35 C ATOM 423 O GLY A 27 -2.718 3.823 9.742 1.00 0.50 O ATOM 0 H GLY A 27 -2.934 0.276 11.188 1.00 0.35 H new ATOM 0 HA2 GLY A 27 -2.276 2.410 12.379 1.00 0.37 H new ATOM 0 HA3 GLY A 27 -1.010 2.595 11.181 1.00 0.37 H new ATOM 427 N VAL A 28 -4.177 2.265 10.290 1.00 0.28 N ATOM 428 CA VAL A 28 -5.214 2.807 9.371 1.00 0.26 C ATOM 429 C VAL A 28 -6.451 3.204 10.182 1.00 0.29 C ATOM 430 O VAL A 28 -6.788 2.573 11.167 1.00 0.39 O ATOM 431 CB VAL A 28 -5.572 1.718 8.348 1.00 0.25 C ATOM 432 CG1 VAL A 28 -6.664 2.213 7.392 1.00 0.60 C ATOM 433 CG2 VAL A 28 -4.324 1.355 7.539 1.00 0.51 C ATOM 0 H VAL A 28 -4.460 1.436 10.813 1.00 0.28 H new ATOM 0 HA VAL A 28 -4.842 3.689 8.849 1.00 0.26 H new ATOM 0 HB VAL A 28 -5.942 0.843 8.883 1.00 0.25 H new ATOM 0 HG11 VAL A 28 -6.904 1.427 6.675 1.00 0.60 H new ATOM 0 HG12 VAL A 28 -7.557 2.469 7.962 1.00 0.60 H new ATOM 0 HG13 VAL A 28 -6.308 3.095 6.859 1.00 0.60 H new ATOM 0 HG21 VAL A 28 -4.574 0.582 6.812 1.00 0.51 H new ATOM 0 HG22 VAL A 28 -3.958 2.240 7.018 1.00 0.51 H new ATOM 0 HG23 VAL A 28 -3.550 0.984 8.211 1.00 0.51 H new ATOM 443 N LYS A 29 -7.128 4.245 9.770 1.00 0.27 N ATOM 444 CA LYS A 29 -8.346 4.694 10.504 1.00 0.32 C ATOM 445 C LYS A 29 -9.552 3.877 10.025 1.00 0.29 C ATOM 446 O LYS A 29 -9.685 3.584 8.852 1.00 0.27 O ATOM 447 CB LYS A 29 -8.582 6.187 10.221 1.00 0.39 C ATOM 448 CG LYS A 29 -8.385 6.997 11.508 1.00 0.77 C ATOM 449 CD LYS A 29 -7.733 8.340 11.174 1.00 0.49 C ATOM 450 CE LYS A 29 -8.286 9.422 12.103 1.00 0.61 C ATOM 451 NZ LYS A 29 -7.368 10.595 12.102 1.00 1.10 N ATOM 0 H LYS A 29 -6.887 4.805 8.952 1.00 0.27 H new ATOM 0 HA LYS A 29 -8.212 4.546 11.576 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -7.892 6.534 9.452 1.00 0.39 H new ATOM 0 HB3 LYS A 29 -9.590 6.339 9.836 1.00 0.39 H new ATOM 0 HG2 LYS A 29 -9.345 7.159 11.998 1.00 0.77 H new ATOM 0 HG3 LYS A 29 -7.760 6.442 12.207 1.00 0.77 H new ATOM 0 HD2 LYS A 29 -6.651 8.269 11.285 1.00 0.49 H new ATOM 0 HD3 LYS A 29 -7.930 8.603 10.135 1.00 0.49 H new ATOM 0 HE2 LYS A 29 -9.280 9.725 11.775 1.00 0.61 H new ATOM 0 HE3 LYS A 29 -8.390 9.029 13.114 1.00 0.61 H new ATOM 0 HZ1 LYS A 29 -7.744 11.331 12.734 1.00 1.10 H new ATOM 0 HZ2 LYS A 29 -6.428 10.300 12.435 1.00 1.10 H new ATOM 0 HZ3 LYS A 29 -7.290 10.974 11.137 1.00 1.10 H new ATOM 465 N ALA A 30 -10.427 3.507 10.928 1.00 0.31 N ATOM 466 CA ALA A 30 -11.628 2.709 10.530 1.00 0.31 C ATOM 467 C ALA A 30 -12.489 3.533 9.573 1.00 0.31 C ATOM 468 O ALA A 30 -13.124 3.002 8.681 1.00 0.32 O ATOM 469 CB ALA A 30 -12.442 2.352 11.773 1.00 0.36 C ATOM 0 H ALA A 30 -10.361 3.723 11.923 1.00 0.31 H new ATOM 0 HA ALA A 30 -11.308 1.792 10.035 1.00 0.31 H new ATOM 0 HB1 ALA A 30 -13.316 1.771 11.481 1.00 0.36 H new ATOM 0 HB2 ALA A 30 -11.827 1.764 12.454 1.00 0.36 H new ATOM 0 HB3 ALA A 30 -12.764 3.266 12.272 1.00 0.36 H new ATOM 475 N ASN A 31 -12.507 4.829 9.750 1.00 0.33 N ATOM 476 CA ASN A 31 -13.315 5.702 8.856 1.00 0.34 C ATOM 477 C ASN A 31 -12.759 5.621 7.429 1.00 0.31 C ATOM 478 O ASN A 31 -13.470 5.836 6.465 1.00 0.33 O ATOM 479 CB ASN A 31 -13.234 7.146 9.368 1.00 0.37 C ATOM 480 CG ASN A 31 -14.637 7.752 9.430 1.00 0.44 C ATOM 481 OD1 ASN A 31 -14.940 8.688 8.718 1.00 0.48 O ATOM 482 ND2 ASN A 31 -15.509 7.252 10.261 1.00 0.49 N ATOM 0 H ASN A 31 -11.992 5.320 10.481 1.00 0.33 H new ATOM 0 HA ASN A 31 -14.355 5.375 8.852 1.00 0.34 H new ATOM 0 HB2 ASN A 31 -12.775 7.166 10.356 1.00 0.37 H new ATOM 0 HB3 ASN A 31 -12.600 7.740 8.710 1.00 0.37 H new ATOM 0 HD21 ASN A 31 -16.448 7.647 10.314 1.00 0.49 H new ATOM 0 HD22 ASN A 31 -15.252 6.466 10.858 1.00 0.49 H new ATOM 489 N ARG A 32 -11.491 5.315 7.290 1.00 0.28 N ATOM 490 CA ARG A 32 -10.880 5.222 5.927 1.00 0.28 C ATOM 491 C ARG A 32 -10.506 3.763 5.635 1.00 0.25 C ATOM 492 O ARG A 32 -9.346 3.421 5.498 1.00 0.24 O ATOM 493 CB ARG A 32 -9.621 6.106 5.839 1.00 0.31 C ATOM 494 CG ARG A 32 -9.813 7.403 6.637 1.00 0.61 C ATOM 495 CD ARG A 32 -8.753 8.428 6.228 1.00 0.67 C ATOM 496 NE ARG A 32 -9.415 9.735 5.925 1.00 1.09 N ATOM 497 CZ ARG A 32 -9.915 10.491 6.882 1.00 1.12 C ATOM 498 NH1 ARG A 32 -9.856 10.132 8.144 1.00 1.76 N ATOM 499 NH2 ARG A 32 -10.483 11.624 6.568 1.00 1.55 N ATOM 0 H ARG A 32 -10.853 5.126 8.063 1.00 0.28 H new ATOM 0 HA ARG A 32 -11.604 5.572 5.191 1.00 0.28 H new ATOM 0 HB2 ARG A 32 -8.760 5.560 6.224 1.00 0.31 H new ATOM 0 HB3 ARG A 32 -9.409 6.342 4.796 1.00 0.31 H new ATOM 0 HG2 ARG A 32 -10.810 7.806 6.458 1.00 0.61 H new ATOM 0 HG3 ARG A 32 -9.740 7.197 7.705 1.00 0.61 H new ATOM 0 HD2 ARG A 32 -8.025 8.554 7.029 1.00 0.67 H new ATOM 0 HD3 ARG A 32 -8.207 8.073 5.354 1.00 0.67 H new ATOM 0 HE ARG A 32 -9.481 10.048 4.956 1.00 1.09 H new ATOM 0 HH11 ARG A 32 -9.415 9.249 8.403 1.00 1.76 H new ATOM 0 HH12 ARG A 32 -10.251 10.736 8.865 1.00 1.76 H new ATOM 0 HH21 ARG A 32 -10.536 11.915 5.592 1.00 1.55 H new ATOM 0 HH22 ARG A 32 -10.874 12.218 7.299 1.00 1.55 H new ATOM 513 N ILE A 33 -11.489 2.903 5.535 1.00 0.26 N ATOM 514 CA ILE A 33 -11.208 1.466 5.247 1.00 0.25 C ATOM 515 C ILE A 33 -11.847 1.086 3.907 1.00 0.24 C ATOM 516 O ILE A 33 -12.967 0.613 3.857 1.00 0.35 O ATOM 517 CB ILE A 33 -11.796 0.596 6.371 1.00 0.26 C ATOM 518 CG1 ILE A 33 -11.139 0.977 7.707 1.00 0.25 C ATOM 519 CG2 ILE A 33 -11.554 -0.894 6.075 1.00 0.29 C ATOM 520 CD1 ILE A 33 -9.639 0.660 7.676 1.00 0.26 C ATOM 0 H ILE A 33 -12.476 3.137 5.641 1.00 0.26 H new ATOM 0 HA ILE A 33 -10.132 1.303 5.193 1.00 0.25 H new ATOM 0 HB ILE A 33 -12.871 0.768 6.431 1.00 0.26 H new ATOM 0 HG12 ILE A 33 -11.289 2.039 7.903 1.00 0.25 H new ATOM 0 HG13 ILE A 33 -11.615 0.432 8.522 1.00 0.25 H new ATOM 0 HG21 ILE A 33 -11.975 -1.498 6.879 1.00 0.29 H new ATOM 0 HG22 ILE A 33 -12.032 -1.160 5.132 1.00 0.29 H new ATOM 0 HG23 ILE A 33 -10.483 -1.081 6.004 1.00 0.29 H new ATOM 0 HD11 ILE A 33 -9.189 0.936 8.630 1.00 0.26 H new ATOM 0 HD12 ILE A 33 -9.496 -0.407 7.502 1.00 0.26 H new ATOM 0 HD13 ILE A 33 -9.164 1.225 6.874 1.00 0.26 H new ATOM 532 N PHE A 34 -11.139 1.285 2.823 1.00 0.25 N ATOM 533 CA PHE A 34 -11.698 0.929 1.486 1.00 0.25 C ATOM 534 C PHE A 34 -11.514 -0.572 1.255 1.00 0.26 C ATOM 535 O PHE A 34 -10.655 -0.998 0.506 1.00 0.34 O ATOM 536 CB PHE A 34 -10.970 1.718 0.395 1.00 0.28 C ATOM 537 CG PHE A 34 -11.638 3.062 0.228 1.00 0.43 C ATOM 538 CD1 PHE A 34 -12.781 3.180 -0.572 1.00 1.13 C ATOM 539 CD2 PHE A 34 -11.119 4.187 0.878 1.00 1.23 C ATOM 540 CE1 PHE A 34 -13.405 4.424 -0.721 1.00 1.30 C ATOM 541 CE2 PHE A 34 -11.742 5.431 0.728 1.00 1.37 C ATOM 542 CZ PHE A 34 -12.885 5.550 -0.071 1.00 0.99 C ATOM 0 H PHE A 34 -10.198 1.679 2.808 1.00 0.25 H new ATOM 0 HA PHE A 34 -12.759 1.177 1.451 1.00 0.25 H new ATOM 0 HB2 PHE A 34 -9.922 1.850 0.662 1.00 0.28 H new ATOM 0 HB3 PHE A 34 -10.992 1.168 -0.546 1.00 0.28 H new ATOM 0 HD1 PHE A 34 -13.181 2.311 -1.074 1.00 1.13 H new ATOM 0 HD2 PHE A 34 -10.238 4.095 1.495 1.00 1.23 H new ATOM 0 HE1 PHE A 34 -14.287 4.515 -1.337 1.00 1.30 H new ATOM 0 HE2 PHE A 34 -11.341 6.300 1.229 1.00 1.37 H new ATOM 0 HZ PHE A 34 -13.366 6.510 -0.186 1.00 0.99 H new ATOM 552 N THR A 35 -12.313 -1.371 1.911 1.00 0.30 N ATOM 553 CA THR A 35 -12.200 -2.851 1.762 1.00 0.33 C ATOM 554 C THR A 35 -12.869 -3.302 0.461 1.00 0.37 C ATOM 555 O THR A 35 -13.428 -2.509 -0.272 1.00 0.58 O ATOM 556 CB THR A 35 -12.890 -3.530 2.948 1.00 0.42 C ATOM 557 OG1 THR A 35 -12.855 -4.939 2.768 1.00 0.73 O ATOM 558 CG2 THR A 35 -14.349 -3.063 3.042 1.00 0.82 C ATOM 0 H THR A 35 -13.045 -1.059 2.549 1.00 0.30 H new ATOM 0 HA THR A 35 -11.146 -3.129 1.735 1.00 0.33 H new ATOM 0 HB THR A 35 -12.370 -3.263 3.868 1.00 0.42 H new ATOM 0 HG1 THR A 35 -12.831 -5.380 3.643 1.00 0.73 H new ATOM 0 HG21 THR A 35 -14.833 -3.550 3.888 1.00 0.82 H new ATOM 0 HG22 THR A 35 -14.377 -1.982 3.181 1.00 0.82 H new ATOM 0 HG23 THR A 35 -14.875 -3.324 2.123 1.00 0.82 H new ATOM 566 N ASP A 36 -12.812 -4.578 0.179 1.00 0.37 N ATOM 567 CA ASP A 36 -13.438 -5.112 -1.065 1.00 0.40 C ATOM 568 C ASP A 36 -14.141 -6.431 -0.746 1.00 0.40 C ATOM 569 O ASP A 36 -13.502 -7.443 -0.526 1.00 0.69 O ATOM 570 CB ASP A 36 -12.352 -5.360 -2.116 1.00 0.50 C ATOM 571 CG ASP A 36 -12.158 -4.101 -2.964 1.00 0.69 C ATOM 572 OD1 ASP A 36 -13.117 -3.367 -3.136 1.00 1.18 O ATOM 573 OD2 ASP A 36 -11.051 -3.891 -3.429 1.00 1.36 O ATOM 0 H ASP A 36 -12.354 -5.278 0.763 1.00 0.37 H new ATOM 0 HA ASP A 36 -14.160 -4.392 -1.450 1.00 0.40 H new ATOM 0 HB2 ASP A 36 -11.415 -5.630 -1.628 1.00 0.50 H new ATOM 0 HB3 ASP A 36 -12.633 -6.199 -2.752 1.00 0.50 H new ATOM 578 N LYS A 37 -15.451 -6.428 -0.717 1.00 0.28 N ATOM 579 CA LYS A 37 -16.199 -7.682 -0.411 1.00 0.29 C ATOM 580 C LYS A 37 -16.106 -8.634 -1.609 1.00 0.33 C ATOM 581 O LYS A 37 -17.092 -8.939 -2.256 1.00 0.41 O ATOM 582 CB LYS A 37 -17.666 -7.345 -0.125 1.00 0.32 C ATOM 583 CG LYS A 37 -17.755 -6.447 1.114 1.00 1.07 C ATOM 584 CD LYS A 37 -17.307 -7.224 2.364 1.00 0.64 C ATOM 585 CE LYS A 37 -18.412 -7.190 3.423 1.00 0.90 C ATOM 586 NZ LYS A 37 -19.298 -8.375 3.254 1.00 1.51 N ATOM 0 H LYS A 37 -16.033 -5.609 -0.893 1.00 0.28 H new ATOM 0 HA LYS A 37 -15.766 -8.164 0.466 1.00 0.29 H new ATOM 0 HB2 LYS A 37 -18.108 -6.841 -0.984 1.00 0.32 H new ATOM 0 HB3 LYS A 37 -18.235 -8.261 0.035 1.00 0.32 H new ATOM 0 HG2 LYS A 37 -17.128 -5.566 0.980 1.00 1.07 H new ATOM 0 HG3 LYS A 37 -18.778 -6.093 1.243 1.00 1.07 H new ATOM 0 HD2 LYS A 37 -17.078 -8.256 2.098 1.00 0.64 H new ATOM 0 HD3 LYS A 37 -16.393 -6.787 2.766 1.00 0.64 H new ATOM 0 HE2 LYS A 37 -17.974 -7.189 4.421 1.00 0.90 H new ATOM 0 HE3 LYS A 37 -18.992 -6.272 3.329 1.00 0.90 H new ATOM 0 HZ1 LYS A 37 -20.049 -8.352 3.973 1.00 1.51 H new ATOM 0 HZ2 LYS A 37 -19.726 -8.356 2.306 1.00 1.51 H new ATOM 0 HZ3 LYS A 37 -18.739 -9.245 3.364 1.00 1.51 H new ATOM 600 N ALA A 38 -14.922 -9.108 -1.907 1.00 0.38 N ATOM 601 CA ALA A 38 -14.739 -10.044 -3.057 1.00 0.45 C ATOM 602 C ALA A 38 -15.623 -11.286 -2.874 1.00 0.53 C ATOM 603 O ALA A 38 -15.950 -11.966 -3.828 1.00 1.01 O ATOM 604 CB ALA A 38 -13.273 -10.477 -3.128 1.00 0.60 C ATOM 0 H ALA A 38 -14.067 -8.884 -1.398 1.00 0.38 H new ATOM 0 HA ALA A 38 -15.023 -9.535 -3.978 1.00 0.45 H new ATOM 0 HB1 ALA A 38 -13.136 -11.160 -3.966 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -12.641 -9.600 -3.267 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -12.997 -10.980 -2.201 1.00 0.60 H new ATOM 610 N SER A 39 -16.005 -11.587 -1.655 1.00 0.75 N ATOM 611 CA SER A 39 -16.863 -12.783 -1.406 1.00 0.82 C ATOM 612 C SER A 39 -18.281 -12.515 -1.923 1.00 1.11 C ATOM 613 O SER A 39 -19.228 -12.432 -1.161 1.00 1.60 O ATOM 614 CB SER A 39 -16.904 -13.073 0.096 1.00 1.31 C ATOM 615 OG SER A 39 -15.849 -13.964 0.433 1.00 1.82 O ATOM 0 H SER A 39 -15.757 -11.053 -0.822 1.00 0.75 H new ATOM 0 HA SER A 39 -16.450 -13.645 -1.929 1.00 0.82 H new ATOM 0 HB2 SER A 39 -16.805 -12.145 0.660 1.00 1.31 H new ATOM 0 HB3 SER A 39 -17.865 -13.510 0.367 1.00 1.31 H new ATOM 0 HG SER A 39 -15.664 -13.904 1.394 1.00 1.82 H new ATOM 621 N GLY A 40 -18.430 -12.381 -3.215 1.00 1.26 N ATOM 622 CA GLY A 40 -19.779 -12.120 -3.796 1.00 1.81 C ATOM 623 C GLY A 40 -19.899 -12.838 -5.141 1.00 1.82 C ATOM 624 O GLY A 40 -19.232 -13.825 -5.388 1.00 2.06 O ATOM 0 H GLY A 40 -17.672 -12.441 -3.895 1.00 1.26 H new ATOM 0 HA2 GLY A 40 -20.555 -12.469 -3.114 1.00 1.81 H new ATOM 0 HA3 GLY A 40 -19.929 -11.049 -3.928 1.00 1.81 H new ATOM 628 N SER A 41 -20.744 -12.347 -6.012 1.00 1.91 N ATOM 629 CA SER A 41 -20.914 -12.993 -7.346 1.00 2.01 C ATOM 630 C SER A 41 -19.600 -12.899 -8.125 1.00 1.70 C ATOM 631 O SER A 41 -19.259 -13.779 -8.892 1.00 1.96 O ATOM 632 CB SER A 41 -22.018 -12.276 -8.123 1.00 2.29 C ATOM 633 OG SER A 41 -23.017 -11.830 -7.214 1.00 2.92 O ATOM 0 H SER A 41 -21.325 -11.523 -5.855 1.00 1.91 H new ATOM 0 HA SER A 41 -21.186 -14.040 -7.212 1.00 2.01 H new ATOM 0 HB2 SER A 41 -21.603 -11.429 -8.670 1.00 2.29 H new ATOM 0 HB3 SER A 41 -22.455 -12.949 -8.861 1.00 2.29 H new ATOM 0 HG SER A 41 -23.726 -11.368 -7.708 1.00 2.92 H new ATOM 639 N SER A 42 -18.863 -11.836 -7.928 1.00 1.43 N ATOM 640 CA SER A 42 -17.567 -11.671 -8.648 1.00 1.44 C ATOM 641 C SER A 42 -16.633 -10.792 -7.814 1.00 1.21 C ATOM 642 O SER A 42 -16.954 -10.409 -6.705 1.00 1.78 O ATOM 643 CB SER A 42 -17.817 -11.009 -10.003 1.00 1.77 C ATOM 644 OG SER A 42 -17.988 -12.014 -10.993 1.00 2.22 O ATOM 0 H SER A 42 -19.105 -11.073 -7.296 1.00 1.43 H new ATOM 0 HA SER A 42 -17.108 -12.647 -8.802 1.00 1.44 H new ATOM 0 HB2 SER A 42 -18.703 -10.377 -9.954 1.00 1.77 H new ATOM 0 HB3 SER A 42 -16.979 -10.363 -10.265 1.00 1.77 H new ATOM 0 HG SER A 42 -18.416 -12.799 -10.592 1.00 2.22 H new ATOM 650 N SER A 43 -15.477 -10.470 -8.341 1.00 0.96 N ATOM 651 CA SER A 43 -14.515 -9.616 -7.584 1.00 0.77 C ATOM 652 C SER A 43 -15.091 -8.207 -7.430 1.00 0.69 C ATOM 653 O SER A 43 -15.494 -7.584 -8.394 1.00 1.07 O ATOM 654 CB SER A 43 -13.191 -9.544 -8.344 1.00 1.02 C ATOM 655 OG SER A 43 -13.442 -9.670 -9.738 1.00 1.81 O ATOM 0 H SER A 43 -15.159 -10.763 -9.265 1.00 0.96 H new ATOM 0 HA SER A 43 -14.346 -10.048 -6.598 1.00 0.77 H new ATOM 0 HB2 SER A 43 -12.691 -8.598 -8.137 1.00 1.02 H new ATOM 0 HB3 SER A 43 -12.523 -10.338 -8.010 1.00 1.02 H new ATOM 0 HG SER A 43 -12.595 -9.622 -10.229 1.00 1.81 H new ATOM 661 N ASP A 44 -15.129 -7.703 -6.223 1.00 0.49 N ATOM 662 CA ASP A 44 -15.675 -6.334 -5.993 1.00 0.55 C ATOM 663 C ASP A 44 -14.517 -5.340 -5.863 1.00 0.58 C ATOM 664 O ASP A 44 -14.252 -4.813 -4.799 1.00 0.92 O ATOM 665 CB ASP A 44 -16.511 -6.327 -4.709 1.00 0.72 C ATOM 666 CG ASP A 44 -17.976 -6.603 -5.050 1.00 1.41 C ATOM 667 OD1 ASP A 44 -18.242 -7.633 -5.646 1.00 1.91 O ATOM 668 OD2 ASP A 44 -18.809 -5.778 -4.709 1.00 2.01 O ATOM 0 H ASP A 44 -14.804 -8.184 -5.384 1.00 0.49 H new ATOM 0 HA ASP A 44 -16.306 -6.045 -6.834 1.00 0.55 H new ATOM 0 HB2 ASP A 44 -16.139 -7.083 -4.017 1.00 0.72 H new ATOM 0 HB3 ASP A 44 -16.419 -5.363 -4.208 1.00 0.72 H new ATOM 673 N ARG A 45 -13.821 -5.085 -6.943 1.00 0.51 N ATOM 674 CA ARG A 45 -12.673 -4.132 -6.895 1.00 0.58 C ATOM 675 C ARG A 45 -13.199 -2.694 -6.820 1.00 0.61 C ATOM 676 O ARG A 45 -13.145 -1.950 -7.782 1.00 0.84 O ATOM 677 CB ARG A 45 -11.821 -4.300 -8.157 1.00 0.77 C ATOM 678 CG ARG A 45 -10.910 -5.519 -8.003 1.00 1.28 C ATOM 679 CD ARG A 45 -10.203 -5.794 -9.330 1.00 1.63 C ATOM 680 NE ARG A 45 -9.019 -6.675 -9.091 1.00 2.00 N ATOM 681 CZ ARG A 45 -8.390 -7.267 -10.088 1.00 2.38 C ATOM 682 NH1 ARG A 45 -8.782 -7.118 -11.333 1.00 2.54 N ATOM 683 NH2 ARG A 45 -7.357 -8.021 -9.830 1.00 3.26 N ATOM 0 H ARG A 45 -14.000 -5.498 -7.858 1.00 0.51 H new ATOM 0 HA ARG A 45 -12.066 -4.339 -6.014 1.00 0.58 H new ATOM 0 HB2 ARG A 45 -12.464 -4.422 -9.029 1.00 0.77 H new ATOM 0 HB3 ARG A 45 -11.222 -3.405 -8.325 1.00 0.77 H new ATOM 0 HG2 ARG A 45 -10.176 -5.341 -7.217 1.00 1.28 H new ATOM 0 HG3 ARG A 45 -11.495 -6.388 -7.703 1.00 1.28 H new ATOM 0 HD2 ARG A 45 -10.890 -6.272 -10.028 1.00 1.63 H new ATOM 0 HD3 ARG A 45 -9.886 -4.856 -9.786 1.00 1.63 H new ATOM 0 HE ARG A 45 -8.691 -6.821 -8.137 1.00 2.00 H new ATOM 0 HH11 ARG A 45 -9.590 -6.534 -11.547 1.00 2.54 H new ATOM 0 HH12 ARG A 45 -8.278 -7.587 -12.086 1.00 2.54 H new ATOM 0 HH21 ARG A 45 -7.045 -8.147 -8.867 1.00 3.26 H new ATOM 0 HH22 ARG A 45 -6.861 -8.485 -10.591 1.00 3.26 H new ATOM 697 N LYS A 46 -13.703 -2.299 -5.679 1.00 0.53 N ATOM 698 CA LYS A 46 -14.229 -0.909 -5.527 1.00 0.61 C ATOM 699 C LYS A 46 -13.345 -0.121 -4.552 1.00 0.57 C ATOM 700 O LYS A 46 -13.335 1.096 -4.562 1.00 0.53 O ATOM 701 CB LYS A 46 -15.663 -0.960 -4.992 1.00 0.67 C ATOM 702 CG LYS A 46 -16.570 -1.682 -6.001 1.00 0.82 C ATOM 703 CD LYS A 46 -17.759 -0.789 -6.371 1.00 1.23 C ATOM 704 CE LYS A 46 -18.967 -1.154 -5.504 1.00 1.61 C ATOM 705 NZ LYS A 46 -20.214 -1.033 -6.311 1.00 2.47 N ATOM 0 H LYS A 46 -13.773 -2.881 -4.844 1.00 0.53 H new ATOM 0 HA LYS A 46 -14.220 -0.414 -6.498 1.00 0.61 H new ATOM 0 HB2 LYS A 46 -15.685 -1.479 -4.033 1.00 0.67 H new ATOM 0 HB3 LYS A 46 -16.031 0.051 -4.816 1.00 0.67 H new ATOM 0 HG2 LYS A 46 -16.002 -1.935 -6.896 1.00 0.82 H new ATOM 0 HG3 LYS A 46 -16.928 -2.619 -5.575 1.00 0.82 H new ATOM 0 HD2 LYS A 46 -17.498 0.259 -6.226 1.00 1.23 H new ATOM 0 HD3 LYS A 46 -18.005 -0.913 -7.426 1.00 1.23 H new ATOM 0 HE2 LYS A 46 -18.863 -2.171 -5.127 1.00 1.61 H new ATOM 0 HE3 LYS A 46 -19.017 -0.496 -4.637 1.00 1.61 H new ATOM 0 HZ1 LYS A 46 -21.034 -1.281 -5.722 1.00 2.47 H new ATOM 0 HZ2 LYS A 46 -20.314 -0.055 -6.650 1.00 2.47 H new ATOM 0 HZ3 LYS A 46 -20.165 -1.678 -7.125 1.00 2.47 H new ATOM 719 N GLY A 47 -12.604 -0.803 -3.711 1.00 0.68 N ATOM 720 CA GLY A 47 -11.720 -0.099 -2.734 1.00 0.69 C ATOM 721 C GLY A 47 -10.715 0.779 -3.484 1.00 0.57 C ATOM 722 O GLY A 47 -10.777 1.989 -3.420 1.00 0.59 O ATOM 0 H GLY A 47 -12.575 -1.821 -3.661 1.00 0.68 H new ATOM 0 HA2 GLY A 47 -12.321 0.513 -2.061 1.00 0.69 H new ATOM 0 HA3 GLY A 47 -11.192 -0.826 -2.117 1.00 0.69 H new ATOM 726 N LEU A 48 -9.790 0.174 -4.189 1.00 0.64 N ATOM 727 CA LEU A 48 -8.769 0.988 -4.944 1.00 0.63 C ATOM 728 C LEU A 48 -9.492 1.832 -6.000 1.00 0.57 C ATOM 729 O LEU A 48 -9.054 2.913 -6.346 1.00 0.61 O ATOM 730 CB LEU A 48 -7.688 0.123 -5.656 1.00 0.88 C ATOM 731 CG LEU A 48 -8.104 -1.346 -5.823 1.00 0.68 C ATOM 732 CD1 LEU A 48 -9.381 -1.427 -6.663 1.00 1.32 C ATOM 733 CD2 LEU A 48 -6.986 -2.106 -6.540 1.00 1.49 C ATOM 0 H LEU A 48 -9.693 -0.837 -4.278 1.00 0.64 H new ATOM 0 HA LEU A 48 -8.253 1.607 -4.210 1.00 0.63 H new ATOM 0 HB2 LEU A 48 -7.479 0.549 -6.637 1.00 0.88 H new ATOM 0 HB3 LEU A 48 -6.761 0.169 -5.085 1.00 0.88 H new ATOM 0 HG LEU A 48 -8.285 -1.785 -4.842 1.00 0.68 H new ATOM 0 HD11 LEU A 48 -9.674 -2.470 -6.780 1.00 1.32 H new ATOM 0 HD12 LEU A 48 -10.180 -0.879 -6.164 1.00 1.32 H new ATOM 0 HD13 LEU A 48 -9.199 -0.989 -7.644 1.00 1.32 H new ATOM 0 HD21 LEU A 48 -7.275 -3.150 -6.662 1.00 1.49 H new ATOM 0 HD22 LEU A 48 -6.814 -1.661 -7.520 1.00 1.49 H new ATOM 0 HD23 LEU A 48 -6.071 -2.050 -5.950 1.00 1.49 H new ATOM 745 N ASP A 49 -10.597 1.344 -6.512 1.00 0.54 N ATOM 746 CA ASP A 49 -11.359 2.111 -7.546 1.00 0.55 C ATOM 747 C ASP A 49 -11.781 3.462 -6.965 1.00 0.52 C ATOM 748 O ASP A 49 -11.738 4.479 -7.632 1.00 0.70 O ATOM 749 CB ASP A 49 -12.601 1.311 -7.950 1.00 0.58 C ATOM 750 CG ASP A 49 -12.875 1.504 -9.443 1.00 0.93 C ATOM 751 OD1 ASP A 49 -12.652 2.600 -9.929 1.00 1.58 O ATOM 752 OD2 ASP A 49 -13.304 0.552 -10.073 1.00 1.61 O ATOM 0 H ASP A 49 -11.004 0.444 -6.257 1.00 0.54 H new ATOM 0 HA ASP A 49 -10.732 2.276 -8.422 1.00 0.55 H new ATOM 0 HB2 ASP A 49 -12.451 0.254 -7.731 1.00 0.58 H new ATOM 0 HB3 ASP A 49 -13.462 1.638 -7.367 1.00 0.58 H new ATOM 757 N LEU A 50 -12.173 3.475 -5.719 1.00 0.39 N ATOM 758 CA LEU A 50 -12.585 4.750 -5.063 1.00 0.41 C ATOM 759 C LEU A 50 -11.362 5.366 -4.375 1.00 0.35 C ATOM 760 O LEU A 50 -11.258 6.569 -4.231 1.00 0.38 O ATOM 761 CB LEU A 50 -13.669 4.463 -4.018 1.00 0.47 C ATOM 762 CG LEU A 50 -14.807 3.652 -4.651 1.00 0.53 C ATOM 763 CD1 LEU A 50 -15.520 2.838 -3.570 1.00 0.65 C ATOM 764 CD2 LEU A 50 -15.808 4.605 -5.310 1.00 0.67 C ATOM 0 H LEU A 50 -12.226 2.649 -5.122 1.00 0.39 H new ATOM 0 HA LEU A 50 -12.981 5.440 -5.808 1.00 0.41 H new ATOM 0 HB2 LEU A 50 -13.241 3.912 -3.180 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -14.058 5.400 -3.618 1.00 0.47 H new ATOM 0 HG LEU A 50 -14.395 2.978 -5.402 1.00 0.53 H new ATOM 0 HD11 LEU A 50 -16.328 2.263 -4.022 1.00 0.65 H new ATOM 0 HD12 LEU A 50 -14.810 2.158 -3.099 1.00 0.65 H new ATOM 0 HD13 LEU A 50 -15.931 3.512 -2.818 1.00 0.65 H new ATOM 0 HD21 LEU A 50 -16.617 4.029 -5.760 1.00 0.67 H new ATOM 0 HD22 LEU A 50 -16.218 5.279 -4.558 1.00 0.67 H new ATOM 0 HD23 LEU A 50 -15.303 5.186 -6.082 1.00 0.67 H new ATOM 776 N LEU A 51 -10.432 4.542 -3.957 1.00 0.31 N ATOM 777 CA LEU A 51 -9.202 5.053 -3.286 1.00 0.30 C ATOM 778 C LEU A 51 -8.432 5.942 -4.262 1.00 0.29 C ATOM 779 O LEU A 51 -7.851 6.940 -3.883 1.00 0.32 O ATOM 780 CB LEU A 51 -8.330 3.862 -2.875 1.00 0.32 C ATOM 781 CG LEU A 51 -7.467 4.237 -1.670 1.00 0.25 C ATOM 782 CD1 LEU A 51 -8.330 4.256 -0.407 1.00 0.32 C ATOM 783 CD2 LEU A 51 -6.350 3.203 -1.505 1.00 0.26 C ATOM 0 H LEU A 51 -10.476 3.528 -4.054 1.00 0.31 H new ATOM 0 HA LEU A 51 -9.469 5.633 -2.403 1.00 0.30 H new ATOM 0 HB2 LEU A 51 -8.960 3.007 -2.630 1.00 0.32 H new ATOM 0 HB3 LEU A 51 -7.695 3.561 -3.708 1.00 0.32 H new ATOM 0 HG LEU A 51 -7.033 5.224 -1.828 1.00 0.25 H new ATOM 0 HD11 LEU A 51 -7.713 4.523 0.451 1.00 0.32 H new ATOM 0 HD12 LEU A 51 -9.128 4.989 -0.523 1.00 0.32 H new ATOM 0 HD13 LEU A 51 -8.764 3.269 -0.248 1.00 0.32 H new ATOM 0 HD21 LEU A 51 -5.733 3.468 -0.646 1.00 0.26 H new ATOM 0 HD22 LEU A 51 -6.787 2.217 -1.347 1.00 0.26 H new ATOM 0 HD23 LEU A 51 -5.733 3.187 -2.404 1.00 0.26 H new ATOM 795 N ARG A 52 -8.433 5.587 -5.524 1.00 0.30 N ATOM 796 CA ARG A 52 -7.714 6.407 -6.542 1.00 0.34 C ATOM 797 C ARG A 52 -8.323 7.815 -6.592 1.00 0.34 C ATOM 798 O ARG A 52 -7.680 8.761 -7.008 1.00 0.39 O ATOM 799 CB ARG A 52 -7.851 5.747 -7.917 1.00 0.40 C ATOM 800 CG ARG A 52 -6.778 4.667 -8.078 1.00 0.48 C ATOM 801 CD ARG A 52 -7.271 3.596 -9.053 1.00 0.51 C ATOM 802 NE ARG A 52 -7.494 4.208 -10.400 1.00 0.71 N ATOM 803 CZ ARG A 52 -7.788 3.467 -11.451 1.00 0.80 C ATOM 804 NH1 ARG A 52 -7.895 2.160 -11.364 1.00 1.25 N ATOM 805 NH2 ARG A 52 -7.977 4.044 -12.606 1.00 1.12 N ATOM 0 H ARG A 52 -8.904 4.760 -5.892 1.00 0.30 H new ATOM 0 HA ARG A 52 -6.660 6.476 -6.272 1.00 0.34 H new ATOM 0 HB2 ARG A 52 -8.843 5.307 -8.023 1.00 0.40 H new ATOM 0 HB3 ARG A 52 -7.749 6.496 -8.703 1.00 0.40 H new ATOM 0 HG2 ARG A 52 -5.853 5.111 -8.447 1.00 0.48 H new ATOM 0 HG3 ARG A 52 -6.552 4.217 -7.111 1.00 0.48 H new ATOM 0 HD2 ARG A 52 -6.540 2.791 -9.125 1.00 0.51 H new ATOM 0 HD3 ARG A 52 -8.197 3.154 -8.685 1.00 0.51 H new ATOM 0 HE ARG A 52 -7.417 5.219 -10.508 1.00 0.71 H new ATOM 0 HH11 ARG A 52 -7.750 1.695 -10.468 1.00 1.25 H new ATOM 0 HH12 ARG A 52 -8.123 1.611 -12.193 1.00 1.25 H new ATOM 0 HH21 ARG A 52 -7.897 5.057 -12.689 1.00 1.12 H new ATOM 0 HH22 ARG A 52 -8.205 3.482 -13.426 1.00 1.12 H new ATOM 819 N MET A 53 -9.559 7.956 -6.178 1.00 0.33 N ATOM 820 CA MET A 53 -10.219 9.293 -6.205 1.00 0.35 C ATOM 821 C MET A 53 -10.492 9.809 -4.776 1.00 0.33 C ATOM 822 O MET A 53 -11.105 10.845 -4.601 1.00 0.48 O ATOM 823 CB MET A 53 -11.532 9.179 -7.005 1.00 0.44 C ATOM 824 CG MET A 53 -12.593 8.404 -6.209 1.00 0.80 C ATOM 825 SD MET A 53 -14.151 8.388 -7.130 1.00 1.57 S ATOM 826 CE MET A 53 -15.158 7.622 -5.839 1.00 2.45 C ATOM 0 H MET A 53 -10.139 7.197 -5.821 1.00 0.33 H new ATOM 0 HA MET A 53 -9.556 10.013 -6.686 1.00 0.35 H new ATOM 0 HB2 MET A 53 -11.905 10.175 -7.243 1.00 0.44 H new ATOM 0 HB3 MET A 53 -11.343 8.675 -7.953 1.00 0.44 H new ATOM 0 HG2 MET A 53 -12.254 7.384 -6.030 1.00 0.80 H new ATOM 0 HG3 MET A 53 -12.740 8.867 -5.233 1.00 0.80 H new ATOM 0 HE1 MET A 53 -15.978 7.070 -6.297 1.00 2.45 H new ATOM 0 HE2 MET A 53 -14.542 6.938 -5.255 1.00 2.45 H new ATOM 0 HE3 MET A 53 -15.562 8.395 -5.186 1.00 2.45 H new ATOM 836 N LYS A 54 -10.058 9.097 -3.759 1.00 0.32 N ATOM 837 CA LYS A 54 -10.316 9.557 -2.360 1.00 0.31 C ATOM 838 C LYS A 54 -9.000 9.943 -1.670 1.00 0.29 C ATOM 839 O LYS A 54 -8.991 10.731 -0.743 1.00 0.33 O ATOM 840 CB LYS A 54 -10.996 8.429 -1.575 1.00 0.34 C ATOM 841 CG LYS A 54 -12.511 8.672 -1.523 1.00 0.87 C ATOM 842 CD LYS A 54 -12.901 9.212 -0.145 1.00 0.80 C ATOM 843 CE LYS A 54 -14.172 10.053 -0.264 1.00 1.42 C ATOM 844 NZ LYS A 54 -14.636 10.448 1.096 1.00 1.84 N ATOM 0 H LYS A 54 -9.539 8.222 -3.840 1.00 0.32 H new ATOM 0 HA LYS A 54 -10.964 10.433 -2.388 1.00 0.31 H new ATOM 0 HB2 LYS A 54 -10.788 7.469 -2.047 1.00 0.34 H new ATOM 0 HB3 LYS A 54 -10.591 8.382 -0.564 1.00 0.34 H new ATOM 0 HG2 LYS A 54 -12.802 9.382 -2.298 1.00 0.87 H new ATOM 0 HG3 LYS A 54 -13.045 7.743 -1.725 1.00 0.87 H new ATOM 0 HD2 LYS A 54 -13.063 8.386 0.548 1.00 0.80 H new ATOM 0 HD3 LYS A 54 -12.090 9.816 0.263 1.00 0.80 H new ATOM 0 HE2 LYS A 54 -13.978 10.941 -0.866 1.00 1.42 H new ATOM 0 HE3 LYS A 54 -14.950 9.485 -0.775 1.00 1.42 H new ATOM 0 HZ1 LYS A 54 -15.501 11.020 1.015 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 -14.836 9.595 1.656 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 -13.895 11.005 1.567 1.00 1.84 H new ATOM 858 N VAL A 55 -7.895 9.390 -2.106 1.00 0.27 N ATOM 859 CA VAL A 55 -6.585 9.722 -1.465 1.00 0.30 C ATOM 860 C VAL A 55 -6.281 11.209 -1.644 1.00 0.34 C ATOM 861 O VAL A 55 -6.624 11.807 -2.646 1.00 0.44 O ATOM 862 CB VAL A 55 -5.474 8.895 -2.107 1.00 0.34 C ATOM 863 CG1 VAL A 55 -5.701 7.417 -1.788 1.00 0.94 C ATOM 864 CG2 VAL A 55 -5.490 9.102 -3.623 1.00 0.64 C ATOM 0 H VAL A 55 -7.844 8.724 -2.877 1.00 0.27 H new ATOM 0 HA VAL A 55 -6.641 9.492 -0.401 1.00 0.30 H new ATOM 0 HB VAL A 55 -4.508 9.211 -1.713 1.00 0.34 H new ATOM 0 HG11 VAL A 55 -4.911 6.821 -2.244 1.00 0.94 H new ATOM 0 HG12 VAL A 55 -5.688 7.272 -0.708 1.00 0.94 H new ATOM 0 HG13 VAL A 55 -6.667 7.103 -2.185 1.00 0.94 H new ATOM 0 HG21 VAL A 55 -4.696 8.511 -4.079 1.00 0.64 H new ATOM 0 HG22 VAL A 55 -6.453 8.786 -4.023 1.00 0.64 H new ATOM 0 HG23 VAL A 55 -5.332 10.157 -3.848 1.00 0.64 H new ATOM 874 N GLU A 56 -5.635 11.807 -0.676 1.00 0.36 N ATOM 875 CA GLU A 56 -5.295 13.256 -0.775 1.00 0.42 C ATOM 876 C GLU A 56 -3.821 13.403 -1.155 1.00 0.38 C ATOM 877 O GLU A 56 -3.061 12.454 -1.103 1.00 0.41 O ATOM 878 CB GLU A 56 -5.546 13.931 0.576 1.00 0.47 C ATOM 879 CG GLU A 56 -6.063 15.353 0.350 1.00 0.83 C ATOM 880 CD GLU A 56 -7.045 15.722 1.462 1.00 1.45 C ATOM 881 OE1 GLU A 56 -8.136 15.174 1.468 1.00 2.28 O ATOM 882 OE2 GLU A 56 -6.691 16.544 2.290 1.00 1.95 O ATOM 0 H GLU A 56 -5.327 11.350 0.183 1.00 0.36 H new ATOM 0 HA GLU A 56 -5.916 13.728 -1.536 1.00 0.42 H new ATOM 0 HB2 GLU A 56 -6.272 13.357 1.152 1.00 0.47 H new ATOM 0 HB3 GLU A 56 -4.625 13.956 1.158 1.00 0.47 H new ATOM 0 HG2 GLU A 56 -5.230 16.056 0.338 1.00 0.83 H new ATOM 0 HG3 GLU A 56 -6.554 15.423 -0.621 1.00 0.83 H new ATOM 889 N GLU A 57 -3.411 14.585 -1.539 1.00 0.52 N ATOM 890 CA GLU A 57 -1.987 14.794 -1.926 1.00 0.52 C ATOM 891 C GLU A 57 -1.090 14.605 -0.703 1.00 0.41 C ATOM 892 O GLU A 57 -1.104 15.398 0.220 1.00 0.55 O ATOM 893 CB GLU A 57 -1.809 16.211 -2.479 1.00 0.72 C ATOM 894 CG GLU A 57 -0.756 16.196 -3.588 1.00 1.22 C ATOM 895 CD GLU A 57 -0.852 17.487 -4.400 1.00 1.56 C ATOM 896 OE1 GLU A 57 -1.815 17.631 -5.137 1.00 2.02 O ATOM 897 OE2 GLU A 57 0.037 18.312 -4.272 1.00 2.13 O ATOM 0 H GLU A 57 -4.003 15.414 -1.601 1.00 0.52 H new ATOM 0 HA GLU A 57 -1.710 14.069 -2.692 1.00 0.52 H new ATOM 0 HB2 GLU A 57 -2.757 16.583 -2.868 1.00 0.72 H new ATOM 0 HB3 GLU A 57 -1.503 16.889 -1.682 1.00 0.72 H new ATOM 0 HG2 GLU A 57 0.240 16.098 -3.157 1.00 1.22 H new ATOM 0 HG3 GLU A 57 -0.908 15.334 -4.237 1.00 1.22 H new ATOM 904 N GLY A 58 -0.308 13.555 -0.693 1.00 0.35 N ATOM 905 CA GLY A 58 0.600 13.298 0.463 1.00 0.38 C ATOM 906 C GLY A 58 -0.071 12.336 1.449 1.00 0.36 C ATOM 907 O GLY A 58 0.248 12.322 2.624 1.00 0.45 O ATOM 0 H GLY A 58 -0.260 12.862 -1.440 1.00 0.35 H new ATOM 0 HA2 GLY A 58 1.540 12.874 0.111 1.00 0.38 H new ATOM 0 HA3 GLY A 58 0.841 14.236 0.963 1.00 0.38 H new ATOM 911 N ASP A 59 -0.997 11.531 0.983 1.00 0.32 N ATOM 912 CA ASP A 59 -1.688 10.571 1.896 1.00 0.35 C ATOM 913 C ASP A 59 -0.934 9.235 1.901 1.00 0.34 C ATOM 914 O ASP A 59 -0.223 8.914 0.968 1.00 0.48 O ATOM 915 CB ASP A 59 -3.129 10.355 1.408 1.00 0.44 C ATOM 916 CG ASP A 59 -4.118 10.715 2.520 1.00 1.18 C ATOM 917 OD1 ASP A 59 -4.115 10.033 3.531 1.00 2.14 O ATOM 918 OD2 ASP A 59 -4.860 11.666 2.339 1.00 1.60 O ATOM 0 H ASP A 59 -1.302 11.499 0.010 1.00 0.32 H new ATOM 0 HA ASP A 59 -1.706 10.975 2.908 1.00 0.35 H new ATOM 0 HB2 ASP A 59 -3.319 10.969 0.528 1.00 0.44 H new ATOM 0 HB3 ASP A 59 -3.268 9.316 1.108 1.00 0.44 H new ATOM 923 N VAL A 60 -1.095 8.454 2.941 1.00 0.27 N ATOM 924 CA VAL A 60 -0.395 7.131 3.004 1.00 0.27 C ATOM 925 C VAL A 60 -1.420 6.012 2.827 1.00 0.26 C ATOM 926 O VAL A 60 -2.416 5.950 3.525 1.00 0.38 O ATOM 927 CB VAL A 60 0.328 6.943 4.351 1.00 0.32 C ATOM 928 CG1 VAL A 60 1.699 7.617 4.291 1.00 1.04 C ATOM 929 CG2 VAL A 60 -0.490 7.544 5.501 1.00 0.82 C ATOM 0 H VAL A 60 -1.679 8.674 3.748 1.00 0.27 H new ATOM 0 HA VAL A 60 0.348 7.099 2.207 1.00 0.27 H new ATOM 0 HB VAL A 60 0.447 5.875 4.534 1.00 0.32 H new ATOM 0 HG11 VAL A 60 2.212 7.485 5.244 1.00 1.04 H new ATOM 0 HG12 VAL A 60 2.291 7.166 3.495 1.00 1.04 H new ATOM 0 HG13 VAL A 60 1.573 8.681 4.092 1.00 1.04 H new ATOM 0 HG21 VAL A 60 0.042 7.398 6.441 1.00 0.82 H new ATOM 0 HG22 VAL A 60 -0.633 8.610 5.327 1.00 0.82 H new ATOM 0 HG23 VAL A 60 -1.461 7.051 5.553 1.00 0.82 H new ATOM 939 N ILE A 61 -1.182 5.129 1.894 1.00 0.23 N ATOM 940 CA ILE A 61 -2.129 4.005 1.648 1.00 0.23 C ATOM 941 C ILE A 61 -1.545 2.719 2.249 1.00 0.21 C ATOM 942 O ILE A 61 -0.690 2.082 1.663 1.00 0.23 O ATOM 943 CB ILE A 61 -2.330 3.855 0.132 1.00 0.25 C ATOM 944 CG1 ILE A 61 -3.010 5.117 -0.405 1.00 0.32 C ATOM 945 CG2 ILE A 61 -3.207 2.638 -0.182 1.00 0.29 C ATOM 946 CD1 ILE A 61 -2.685 5.288 -1.890 1.00 0.28 C ATOM 0 H ILE A 61 -0.363 5.140 1.286 1.00 0.23 H new ATOM 0 HA ILE A 61 -3.093 4.202 2.116 1.00 0.23 H new ATOM 0 HB ILE A 61 -1.358 3.715 -0.341 1.00 0.25 H new ATOM 0 HG12 ILE A 61 -4.089 5.048 -0.265 1.00 0.32 H new ATOM 0 HG13 ILE A 61 -2.671 5.990 0.154 1.00 0.32 H new ATOM 0 HG21 ILE A 61 -3.336 2.551 -1.261 1.00 0.29 H new ATOM 0 HG22 ILE A 61 -2.728 1.736 0.200 1.00 0.29 H new ATOM 0 HG23 ILE A 61 -4.181 2.760 0.291 1.00 0.29 H new ATOM 0 HD11 ILE A 61 -3.171 6.187 -2.268 1.00 0.28 H new ATOM 0 HD12 ILE A 61 -1.606 5.377 -2.018 1.00 0.28 H new ATOM 0 HD13 ILE A 61 -3.046 4.421 -2.444 1.00 0.28 H new ATOM 958 N LEU A 62 -2.003 2.343 3.416 1.00 0.23 N ATOM 959 CA LEU A 62 -1.486 1.106 4.070 1.00 0.23 C ATOM 960 C LEU A 62 -2.152 -0.121 3.436 1.00 0.24 C ATOM 961 O LEU A 62 -3.362 -0.250 3.439 1.00 0.31 O ATOM 962 CB LEU A 62 -1.815 1.152 5.570 1.00 0.29 C ATOM 963 CG LEU A 62 -0.547 1.448 6.374 1.00 0.48 C ATOM 964 CD1 LEU A 62 -0.915 1.673 7.842 1.00 0.61 C ATOM 965 CD2 LEU A 62 0.415 0.263 6.268 1.00 0.73 C ATOM 0 H LEU A 62 -2.717 2.843 3.946 1.00 0.23 H new ATOM 0 HA LEU A 62 -0.406 1.042 3.935 1.00 0.23 H new ATOM 0 HB2 LEU A 62 -2.565 1.919 5.763 1.00 0.29 H new ATOM 0 HB3 LEU A 62 -2.243 0.201 5.886 1.00 0.29 H new ATOM 0 HG LEU A 62 -0.067 2.342 5.977 1.00 0.48 H new ATOM 0 HD11 LEU A 62 -0.012 1.884 8.415 1.00 0.61 H new ATOM 0 HD12 LEU A 62 -1.600 2.517 7.920 1.00 0.61 H new ATOM 0 HD13 LEU A 62 -1.395 0.778 8.238 1.00 0.61 H new ATOM 0 HD21 LEU A 62 1.318 0.475 6.841 1.00 0.73 H new ATOM 0 HD22 LEU A 62 -0.065 -0.632 6.665 1.00 0.73 H new ATOM 0 HD23 LEU A 62 0.678 0.101 5.223 1.00 0.73 H new ATOM 977 N VAL A 63 -1.369 -1.020 2.893 1.00 0.31 N ATOM 978 CA VAL A 63 -1.948 -2.241 2.259 1.00 0.36 C ATOM 979 C VAL A 63 -1.598 -3.470 3.105 1.00 0.42 C ATOM 980 O VAL A 63 -0.497 -3.593 3.608 1.00 0.57 O ATOM 981 CB VAL A 63 -1.370 -2.405 0.850 1.00 0.43 C ATOM 982 CG1 VAL A 63 -2.044 -3.587 0.149 1.00 1.00 C ATOM 983 CG2 VAL A 63 -1.623 -1.129 0.044 1.00 0.91 C ATOM 0 H VAL A 63 -0.351 -0.959 2.862 1.00 0.31 H new ATOM 0 HA VAL A 63 -3.032 -2.142 2.197 1.00 0.36 H new ATOM 0 HB VAL A 63 -0.298 -2.589 0.921 1.00 0.43 H new ATOM 0 HG11 VAL A 63 -1.630 -3.700 -0.853 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -1.866 -4.498 0.720 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -3.117 -3.406 0.080 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -1.212 -1.245 -0.959 1.00 0.91 H new ATOM 0 HG22 VAL A 63 -2.696 -0.947 -0.022 1.00 0.91 H new ATOM 0 HG23 VAL A 63 -1.142 -0.285 0.538 1.00 0.91 H new ATOM 993 N LYS A 64 -2.529 -4.378 3.261 1.00 0.64 N ATOM 994 CA LYS A 64 -2.261 -5.603 4.071 1.00 0.75 C ATOM 995 C LYS A 64 -1.938 -6.768 3.135 1.00 0.95 C ATOM 996 O LYS A 64 -2.219 -6.720 1.952 1.00 1.44 O ATOM 997 CB LYS A 64 -3.499 -5.946 4.906 1.00 0.91 C ATOM 998 CG LYS A 64 -3.104 -6.865 6.072 1.00 1.74 C ATOM 999 CD LYS A 64 -3.601 -8.289 5.805 1.00 2.30 C ATOM 1000 CE LYS A 64 -3.201 -9.197 6.969 1.00 3.04 C ATOM 1001 NZ LYS A 64 -1.723 -9.151 7.149 1.00 3.77 N ATOM 0 H LYS A 64 -3.465 -4.322 2.861 1.00 0.64 H new ATOM 0 HA LYS A 64 -1.416 -5.423 4.735 1.00 0.75 H new ATOM 0 HB2 LYS A 64 -3.954 -5.033 5.289 1.00 0.91 H new ATOM 0 HB3 LYS A 64 -4.245 -6.437 4.281 1.00 0.91 H new ATOM 0 HG2 LYS A 64 -2.021 -6.866 6.195 1.00 1.74 H new ATOM 0 HG3 LYS A 64 -3.530 -6.490 7.002 1.00 1.74 H new ATOM 0 HD2 LYS A 64 -4.684 -8.291 5.685 1.00 2.30 H new ATOM 0 HD3 LYS A 64 -3.176 -8.665 4.874 1.00 2.30 H new ATOM 0 HE2 LYS A 64 -3.700 -8.875 7.883 1.00 3.04 H new ATOM 0 HE3 LYS A 64 -3.523 -10.220 6.774 1.00 3.04 H new ATOM 0 HZ1 LYS A 64 -1.406 -10.012 7.638 1.00 3.77 H new ATOM 0 HZ2 LYS A 64 -1.262 -9.091 6.219 1.00 3.77 H new ATOM 0 HZ3 LYS A 64 -1.468 -8.317 7.716 1.00 3.77 H new ATOM 1015 N LYS A 65 -1.349 -7.814 3.656 1.00 1.20 N ATOM 1016 CA LYS A 65 -1.002 -8.987 2.803 1.00 1.48 C ATOM 1017 C LYS A 65 -1.791 -10.214 3.273 1.00 1.13 C ATOM 1018 O LYS A 65 -1.308 -11.010 4.056 1.00 1.56 O ATOM 1019 CB LYS A 65 0.503 -9.262 2.909 1.00 2.16 C ATOM 1020 CG LYS A 65 1.068 -9.580 1.523 1.00 2.54 C ATOM 1021 CD LYS A 65 1.058 -11.092 1.304 1.00 2.97 C ATOM 1022 CE LYS A 65 1.657 -11.412 -0.066 1.00 3.38 C ATOM 1023 NZ LYS A 65 3.143 -11.401 0.028 1.00 3.70 N ATOM 0 H LYS A 65 -1.093 -7.905 4.639 1.00 1.20 H new ATOM 0 HA LYS A 65 -1.258 -8.775 1.765 1.00 1.48 H new ATOM 0 HB2 LYS A 65 1.012 -8.395 3.330 1.00 2.16 H new ATOM 0 HB3 LYS A 65 0.683 -10.097 3.586 1.00 2.16 H new ATOM 0 HG2 LYS A 65 0.474 -9.086 0.754 1.00 2.54 H new ATOM 0 HG3 LYS A 65 2.084 -9.196 1.436 1.00 2.54 H new ATOM 0 HD2 LYS A 65 1.631 -11.588 2.088 1.00 2.97 H new ATOM 0 HD3 LYS A 65 0.038 -11.472 1.365 1.00 2.97 H new ATOM 0 HE2 LYS A 65 1.311 -12.387 -0.408 1.00 3.38 H new ATOM 0 HE3 LYS A 65 1.323 -10.680 -0.801 1.00 3.38 H new ATOM 0 HZ1 LYS A 65 3.551 -11.619 -0.903 1.00 3.70 H new ATOM 0 HZ2 LYS A 65 3.464 -10.461 0.336 1.00 3.70 H new ATOM 0 HZ3 LYS A 65 3.453 -12.116 0.717 1.00 3.70 H new ATOM 1037 N LEU A 66 -3.000 -10.370 2.795 1.00 0.80 N ATOM 1038 CA LEU A 66 -3.827 -11.544 3.203 1.00 0.69 C ATOM 1039 C LEU A 66 -3.899 -12.539 2.041 1.00 1.00 C ATOM 1040 O LEU A 66 -3.947 -13.738 2.242 1.00 1.48 O ATOM 1041 CB LEU A 66 -5.240 -11.074 3.566 1.00 1.10 C ATOM 1042 CG LEU A 66 -6.065 -12.260 4.075 1.00 0.90 C ATOM 1043 CD1 LEU A 66 -5.577 -12.667 5.465 1.00 1.54 C ATOM 1044 CD2 LEU A 66 -7.540 -11.858 4.154 1.00 1.27 C ATOM 0 H LEU A 66 -3.450 -9.733 2.138 1.00 0.80 H new ATOM 0 HA LEU A 66 -3.375 -12.027 4.069 1.00 0.69 H new ATOM 0 HB2 LEU A 66 -5.190 -10.299 4.330 1.00 1.10 H new ATOM 0 HB3 LEU A 66 -5.722 -10.631 2.694 1.00 1.10 H new ATOM 0 HG LEU A 66 -5.950 -13.100 3.390 1.00 0.90 H new ATOM 0 HD11 LEU A 66 -6.166 -13.511 5.825 1.00 1.54 H new ATOM 0 HD12 LEU A 66 -4.527 -12.953 5.412 1.00 1.54 H new ATOM 0 HD13 LEU A 66 -5.690 -11.827 6.151 1.00 1.54 H new ATOM 0 HD21 LEU A 66 -8.128 -12.701 4.516 1.00 1.27 H new ATOM 0 HD22 LEU A 66 -7.652 -11.017 4.838 1.00 1.27 H new ATOM 0 HD23 LEU A 66 -7.892 -11.569 3.164 1.00 1.27 H new ATOM 1056 N ASP A 67 -3.908 -12.046 0.828 1.00 1.28 N ATOM 1057 CA ASP A 67 -3.974 -12.952 -0.355 1.00 1.90 C ATOM 1058 C ASP A 67 -3.013 -12.449 -1.436 1.00 1.84 C ATOM 1059 O ASP A 67 -1.948 -13.001 -1.632 1.00 2.63 O ATOM 1060 CB ASP A 67 -5.403 -12.971 -0.906 1.00 2.50 C ATOM 1061 CG ASP A 67 -6.175 -14.138 -0.287 1.00 3.17 C ATOM 1062 OD1 ASP A 67 -6.564 -14.020 0.863 1.00 3.59 O ATOM 1063 OD2 ASP A 67 -6.361 -15.130 -0.972 1.00 3.78 O ATOM 0 H ASP A 67 -3.872 -11.051 0.607 1.00 1.28 H new ATOM 0 HA ASP A 67 -3.689 -13.961 -0.057 1.00 1.90 H new ATOM 0 HB2 ASP A 67 -5.904 -12.030 -0.680 1.00 2.50 H new ATOM 0 HB3 ASP A 67 -5.384 -13.069 -1.991 1.00 2.50 H new ATOM 1068 N ARG A 68 -3.384 -11.403 -2.134 1.00 1.14 N ATOM 1069 CA ARG A 68 -2.500 -10.850 -3.205 1.00 1.11 C ATOM 1070 C ARG A 68 -3.185 -9.641 -3.851 1.00 0.92 C ATOM 1071 O ARG A 68 -4.375 -9.655 -4.104 1.00 1.00 O ATOM 1072 CB ARG A 68 -2.249 -11.924 -4.274 1.00 1.35 C ATOM 1073 CG ARG A 68 -0.811 -12.441 -4.169 1.00 1.94 C ATOM 1074 CD ARG A 68 -0.766 -13.915 -4.583 1.00 2.37 C ATOM 1075 NE ARG A 68 -0.246 -14.019 -5.981 1.00 3.02 N ATOM 1076 CZ ARG A 68 -0.317 -15.148 -6.657 1.00 3.65 C ATOM 1077 NH1 ARG A 68 -0.863 -16.227 -6.142 1.00 3.79 N ATOM 1078 NH2 ARG A 68 0.162 -15.193 -7.870 1.00 4.56 N ATOM 0 H ARG A 68 -4.266 -10.907 -2.006 1.00 1.14 H new ATOM 0 HA ARG A 68 -1.549 -10.545 -2.769 1.00 1.11 H new ATOM 0 HB2 ARG A 68 -2.951 -12.748 -4.145 1.00 1.35 H new ATOM 0 HB3 ARG A 68 -2.423 -11.509 -5.267 1.00 1.35 H new ATOM 0 HG2 ARG A 68 -0.154 -11.852 -4.809 1.00 1.94 H new ATOM 0 HG3 ARG A 68 -0.446 -12.328 -3.148 1.00 1.94 H new ATOM 0 HD2 ARG A 68 -0.127 -14.477 -3.902 1.00 2.37 H new ATOM 0 HD3 ARG A 68 -1.762 -14.353 -4.519 1.00 2.37 H new ATOM 0 HE ARG A 68 0.172 -13.199 -6.421 1.00 3.02 H new ATOM 0 HH11 ARG A 68 -1.245 -16.204 -5.197 1.00 3.79 H new ATOM 0 HH12 ARG A 68 -0.905 -17.088 -6.688 1.00 3.79 H new ATOM 0 HH21 ARG A 68 0.584 -14.361 -8.283 1.00 4.56 H new ATOM 0 HH22 ARG A 68 0.114 -16.060 -8.405 1.00 4.56 H new ATOM 1092 N LEU A 69 -2.439 -8.600 -4.124 1.00 0.85 N ATOM 1093 CA LEU A 69 -3.021 -7.386 -4.758 1.00 0.87 C ATOM 1094 C LEU A 69 -3.695 -7.751 -6.084 1.00 0.93 C ATOM 1095 O LEU A 69 -4.899 -7.655 -6.226 1.00 1.33 O ATOM 1096 CB LEU A 69 -1.878 -6.410 -5.024 1.00 1.17 C ATOM 1097 CG LEU A 69 -1.553 -5.603 -3.764 1.00 0.97 C ATOM 1098 CD1 LEU A 69 -2.719 -4.675 -3.442 1.00 1.46 C ATOM 1099 CD2 LEU A 69 -1.281 -6.531 -2.576 1.00 1.32 C ATOM 0 H LEU A 69 -1.439 -8.543 -3.931 1.00 0.85 H new ATOM 0 HA LEU A 69 -3.769 -6.943 -4.101 1.00 0.87 H new ATOM 0 HB2 LEU A 69 -0.994 -6.958 -5.350 1.00 1.17 H new ATOM 0 HB3 LEU A 69 -2.151 -5.734 -5.835 1.00 1.17 H new ATOM 0 HG LEU A 69 -0.655 -5.014 -3.948 1.00 0.97 H new ATOM 0 HD11 LEU A 69 -2.489 -4.100 -2.545 1.00 1.46 H new ATOM 0 HD12 LEU A 69 -2.884 -3.994 -4.277 1.00 1.46 H new ATOM 0 HD13 LEU A 69 -3.619 -5.266 -3.273 1.00 1.46 H new ATOM 0 HD21 LEU A 69 -1.053 -5.934 -1.693 1.00 1.32 H new ATOM 0 HD22 LEU A 69 -2.162 -7.142 -2.383 1.00 1.32 H new ATOM 0 HD23 LEU A 69 -0.434 -7.178 -2.806 1.00 1.32 H new ATOM 1111 N GLY A 70 -2.920 -8.166 -7.054 1.00 1.19 N ATOM 1112 CA GLY A 70 -3.499 -8.537 -8.377 1.00 1.42 C ATOM 1113 C GLY A 70 -3.429 -10.053 -8.563 1.00 1.46 C ATOM 1114 O GLY A 70 -3.910 -10.810 -7.740 1.00 1.98 O ATOM 0 H GLY A 70 -1.907 -8.264 -6.984 1.00 1.19 H new ATOM 0 HA2 GLY A 70 -4.534 -8.201 -8.439 1.00 1.42 H new ATOM 0 HA3 GLY A 70 -2.953 -8.037 -9.177 1.00 1.42 H new ATOM 1118 N ARG A 71 -2.832 -10.498 -9.638 1.00 1.37 N ATOM 1119 CA ARG A 71 -2.724 -11.964 -9.889 1.00 1.71 C ATOM 1120 C ARG A 71 -1.812 -12.210 -11.093 1.00 1.36 C ATOM 1121 O ARG A 71 -0.797 -12.874 -10.987 1.00 1.96 O ATOM 1122 CB ARG A 71 -4.115 -12.533 -10.177 1.00 2.47 C ATOM 1123 CG ARG A 71 -4.133 -14.028 -9.855 1.00 3.18 C ATOM 1124 CD ARG A 71 -5.528 -14.428 -9.375 1.00 3.99 C ATOM 1125 NE ARG A 71 -6.354 -14.852 -10.546 1.00 4.76 N ATOM 1126 CZ ARG A 71 -6.091 -15.964 -11.206 1.00 5.42 C ATOM 1127 NH1 ARG A 71 -5.096 -16.749 -10.860 1.00 5.49 N ATOM 1128 NH2 ARG A 71 -6.836 -16.291 -12.226 1.00 6.29 N ATOM 0 H ARG A 71 -2.413 -9.906 -10.355 1.00 1.37 H new ATOM 0 HA ARG A 71 -2.304 -12.454 -9.011 1.00 1.71 H new ATOM 0 HB2 ARG A 71 -4.863 -12.013 -9.579 1.00 2.47 H new ATOM 0 HB3 ARG A 71 -4.375 -12.373 -11.223 1.00 2.47 H new ATOM 0 HG2 ARG A 71 -3.861 -14.605 -10.739 1.00 3.18 H new ATOM 0 HG3 ARG A 71 -3.393 -14.255 -9.087 1.00 3.18 H new ATOM 0 HD2 ARG A 71 -5.457 -15.241 -8.653 1.00 3.99 H new ATOM 0 HD3 ARG A 71 -6.003 -13.590 -8.865 1.00 3.99 H new ATOM 0 HE ARG A 71 -7.138 -14.270 -10.841 1.00 4.76 H new ATOM 0 HH11 ARG A 71 -4.506 -16.504 -10.065 1.00 5.49 H new ATOM 0 HH12 ARG A 71 -4.913 -17.603 -11.387 1.00 5.49 H new ATOM 0 HH21 ARG A 71 -7.611 -15.690 -12.505 1.00 6.29 H new ATOM 0 HH22 ARG A 71 -6.643 -17.148 -12.745 1.00 6.29 H new ATOM 1142 N ASP A 72 -2.166 -11.679 -12.236 1.00 1.18 N ATOM 1143 CA ASP A 72 -1.323 -11.876 -13.453 1.00 1.41 C ATOM 1144 C ASP A 72 -0.937 -10.515 -14.032 1.00 1.29 C ATOM 1145 O ASP A 72 0.222 -10.144 -14.048 1.00 1.61 O ATOM 1146 CB ASP A 72 -2.111 -12.670 -14.498 1.00 2.02 C ATOM 1147 CG ASP A 72 -2.169 -14.142 -14.084 1.00 2.55 C ATOM 1148 OD1 ASP A 72 -3.045 -14.485 -13.308 1.00 2.97 O ATOM 1149 OD2 ASP A 72 -1.335 -14.901 -14.551 1.00 3.12 O ATOM 0 H ASP A 72 -3.005 -11.116 -12.378 1.00 1.18 H new ATOM 0 HA ASP A 72 -0.421 -12.426 -13.184 1.00 1.41 H new ATOM 0 HB2 ASP A 72 -3.120 -12.268 -14.591 1.00 2.02 H new ATOM 0 HB3 ASP A 72 -1.638 -12.575 -15.475 1.00 2.02 H new ATOM 1154 N THR A 73 -1.901 -9.769 -14.511 1.00 1.26 N ATOM 1155 CA THR A 73 -1.601 -8.427 -15.096 1.00 1.33 C ATOM 1156 C THR A 73 -0.968 -7.529 -14.030 1.00 1.25 C ATOM 1157 O THR A 73 -0.976 -7.845 -12.855 1.00 1.62 O ATOM 1158 CB THR A 73 -2.897 -7.785 -15.596 1.00 1.61 C ATOM 1159 OG1 THR A 73 -3.745 -8.790 -16.133 1.00 2.32 O ATOM 1160 CG2 THR A 73 -2.573 -6.755 -16.680 1.00 1.48 C ATOM 0 H THR A 73 -2.886 -10.033 -14.522 1.00 1.26 H new ATOM 0 HA THR A 73 -0.907 -8.545 -15.928 1.00 1.33 H new ATOM 0 HB THR A 73 -3.401 -7.289 -14.766 1.00 1.61 H new ATOM 0 HG1 THR A 73 -4.576 -8.380 -16.452 1.00 2.32 H new ATOM 0 HG21 THR A 73 -3.497 -6.298 -17.036 1.00 1.48 H new ATOM 0 HG22 THR A 73 -1.923 -5.984 -16.267 1.00 1.48 H new ATOM 0 HG23 THR A 73 -2.069 -7.248 -17.511 1.00 1.48 H new ATOM 1168 N ALA A 74 -0.423 -6.411 -14.436 1.00 1.01 N ATOM 1169 CA ALA A 74 0.215 -5.481 -13.460 1.00 0.95 C ATOM 1170 C ALA A 74 -0.871 -4.706 -12.703 1.00 0.91 C ATOM 1171 O ALA A 74 -0.948 -3.493 -12.776 1.00 1.01 O ATOM 1172 CB ALA A 74 1.120 -4.502 -14.215 1.00 1.02 C ATOM 0 H ALA A 74 -0.393 -6.102 -15.408 1.00 1.01 H new ATOM 0 HA ALA A 74 0.810 -6.050 -12.746 1.00 0.95 H new ATOM 0 HB1 ALA A 74 1.589 -3.820 -13.506 1.00 1.02 H new ATOM 0 HB2 ALA A 74 1.891 -5.057 -14.749 1.00 1.02 H new ATOM 0 HB3 ALA A 74 0.524 -3.932 -14.928 1.00 1.02 H new ATOM 1178 N ASP A 75 -1.707 -5.400 -11.971 1.00 0.88 N ATOM 1179 CA ASP A 75 -2.784 -4.710 -11.201 1.00 0.92 C ATOM 1180 C ASP A 75 -2.182 -4.112 -9.933 1.00 0.85 C ATOM 1181 O ASP A 75 -2.365 -2.947 -9.637 1.00 0.98 O ATOM 1182 CB ASP A 75 -3.869 -5.716 -10.820 1.00 1.01 C ATOM 1183 CG ASP A 75 -4.711 -6.051 -12.052 1.00 1.33 C ATOM 1184 OD1 ASP A 75 -5.318 -5.142 -12.595 1.00 1.73 O ATOM 1185 OD2 ASP A 75 -4.735 -7.210 -12.431 1.00 1.99 O ATOM 0 H ASP A 75 -1.689 -6.415 -11.874 1.00 0.88 H new ATOM 0 HA ASP A 75 -3.223 -3.921 -11.812 1.00 0.92 H new ATOM 0 HB2 ASP A 75 -3.415 -6.622 -10.420 1.00 1.01 H new ATOM 0 HB3 ASP A 75 -4.503 -5.303 -10.035 1.00 1.01 H new ATOM 1190 N MET A 76 -1.458 -4.905 -9.184 1.00 0.77 N ATOM 1191 CA MET A 76 -0.826 -4.402 -7.927 1.00 0.78 C ATOM 1192 C MET A 76 0.059 -3.190 -8.243 1.00 0.71 C ATOM 1193 O MET A 76 0.157 -2.264 -7.462 1.00 0.96 O ATOM 1194 CB MET A 76 0.030 -5.520 -7.318 1.00 0.89 C ATOM 1195 CG MET A 76 0.659 -5.044 -6.003 1.00 1.29 C ATOM 1196 SD MET A 76 2.371 -4.521 -6.291 1.00 2.33 S ATOM 1197 CE MET A 76 3.156 -5.657 -5.121 1.00 3.04 C ATOM 0 H MET A 76 -1.277 -5.887 -9.392 1.00 0.77 H new ATOM 0 HA MET A 76 -1.600 -4.103 -7.220 1.00 0.78 H new ATOM 0 HB2 MET A 76 -0.584 -6.402 -7.138 1.00 0.89 H new ATOM 0 HB3 MET A 76 0.812 -5.813 -8.019 1.00 0.89 H new ATOM 0 HG2 MET A 76 0.081 -4.216 -5.592 1.00 1.29 H new ATOM 0 HG3 MET A 76 0.634 -5.847 -5.266 1.00 1.29 H new ATOM 0 HE1 MET A 76 4.235 -5.505 -5.135 1.00 3.04 H new ATOM 0 HE2 MET A 76 2.775 -5.466 -4.118 1.00 3.04 H new ATOM 0 HE3 MET A 76 2.931 -6.685 -5.405 1.00 3.04 H new ATOM 1207 N ILE A 77 0.696 -3.198 -9.383 1.00 0.61 N ATOM 1208 CA ILE A 77 1.576 -2.057 -9.765 1.00 0.57 C ATOM 1209 C ILE A 77 0.737 -0.945 -10.420 1.00 0.53 C ATOM 1210 O ILE A 77 1.157 0.196 -10.477 1.00 0.53 O ATOM 1211 CB ILE A 77 2.649 -2.564 -10.737 1.00 0.67 C ATOM 1212 CG1 ILE A 77 3.508 -3.616 -10.029 1.00 0.75 C ATOM 1213 CG2 ILE A 77 3.544 -1.405 -11.191 1.00 0.73 C ATOM 1214 CD1 ILE A 77 2.969 -5.013 -10.343 1.00 0.83 C ATOM 0 H ILE A 77 0.644 -3.950 -10.070 1.00 0.61 H new ATOM 0 HA ILE A 77 2.057 -1.645 -8.878 1.00 0.57 H new ATOM 0 HB ILE A 77 2.163 -3.000 -11.610 1.00 0.67 H new ATOM 0 HG12 ILE A 77 4.545 -3.533 -10.355 1.00 0.75 H new ATOM 0 HG13 ILE A 77 3.498 -3.444 -8.953 1.00 0.75 H new ATOM 0 HG21 ILE A 77 4.301 -1.778 -11.880 1.00 0.73 H new ATOM 0 HG22 ILE A 77 2.937 -0.651 -11.692 1.00 0.73 H new ATOM 0 HG23 ILE A 77 4.031 -0.960 -10.323 1.00 0.73 H new ATOM 0 HD11 ILE A 77 3.581 -5.761 -9.839 1.00 0.83 H new ATOM 0 HD12 ILE A 77 1.939 -5.092 -9.995 1.00 0.83 H new ATOM 0 HD13 ILE A 77 3.002 -5.182 -11.419 1.00 0.83 H new ATOM 1226 N GLN A 78 -0.437 -1.264 -10.914 1.00 0.56 N ATOM 1227 CA GLN A 78 -1.288 -0.220 -11.561 1.00 0.56 C ATOM 1228 C GLN A 78 -1.635 0.862 -10.535 1.00 0.49 C ATOM 1229 O GLN A 78 -1.175 1.985 -10.629 1.00 0.46 O ATOM 1230 CB GLN A 78 -2.575 -0.860 -12.089 1.00 0.66 C ATOM 1231 CG GLN A 78 -2.923 -0.267 -13.457 1.00 0.72 C ATOM 1232 CD GLN A 78 -3.303 1.207 -13.296 1.00 1.81 C ATOM 1233 OE1 GLN A 78 -4.328 1.524 -12.727 1.00 2.61 O ATOM 1234 NE2 GLN A 78 -2.512 2.127 -13.777 1.00 2.26 N ATOM 0 H GLN A 78 -0.840 -2.201 -10.896 1.00 0.56 H new ATOM 0 HA GLN A 78 -0.743 0.229 -12.391 1.00 0.56 H new ATOM 0 HB2 GLN A 78 -2.448 -1.939 -12.171 1.00 0.66 H new ATOM 0 HB3 GLN A 78 -3.392 -0.687 -11.389 1.00 0.66 H new ATOM 0 HG2 GLN A 78 -2.073 -0.362 -14.133 1.00 0.72 H new ATOM 0 HG3 GLN A 78 -3.749 -0.819 -13.904 1.00 0.72 H new ATOM 0 HE21 GLN A 78 -1.651 1.861 -14.255 1.00 2.26 H new ATOM 0 HE22 GLN A 78 -2.755 3.112 -13.675 1.00 2.26 H new ATOM 1243 N LEU A 79 -2.449 0.533 -9.559 1.00 0.50 N ATOM 1244 CA LEU A 79 -2.830 1.548 -8.528 1.00 0.46 C ATOM 1245 C LEU A 79 -1.580 2.098 -7.818 1.00 0.38 C ATOM 1246 O LEU A 79 -1.632 3.146 -7.207 1.00 0.43 O ATOM 1247 CB LEU A 79 -3.863 0.967 -7.520 1.00 0.52 C ATOM 1248 CG LEU A 79 -3.282 -0.080 -6.534 1.00 0.54 C ATOM 1249 CD1 LEU A 79 -2.473 -1.150 -7.263 1.00 1.26 C ATOM 1250 CD2 LEU A 79 -2.406 0.595 -5.474 1.00 1.51 C ATOM 0 H LEU A 79 -2.864 -0.390 -9.433 1.00 0.50 H new ATOM 0 HA LEU A 79 -3.315 2.383 -9.033 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -4.293 1.788 -6.946 1.00 0.52 H new ATOM 0 HB3 LEU A 79 -4.678 0.508 -8.079 1.00 0.52 H new ATOM 0 HG LEU A 79 -4.128 -0.562 -6.044 1.00 0.54 H new ATOM 0 HD11 LEU A 79 -2.082 -1.866 -6.540 1.00 1.26 H new ATOM 0 HD12 LEU A 79 -3.114 -1.668 -7.976 1.00 1.26 H new ATOM 0 HD13 LEU A 79 -1.645 -0.681 -7.794 1.00 1.26 H new ATOM 0 HD21 LEU A 79 -2.010 -0.160 -4.795 1.00 1.51 H new ATOM 0 HD22 LEU A 79 -1.580 1.114 -5.961 1.00 1.51 H new ATOM 0 HD23 LEU A 79 -3.003 1.312 -4.911 1.00 1.51 H new ATOM 1262 N ILE A 80 -0.454 1.422 -7.911 1.00 0.35 N ATOM 1263 CA ILE A 80 0.784 1.941 -7.258 1.00 0.35 C ATOM 1264 C ILE A 80 1.340 3.069 -8.135 1.00 0.38 C ATOM 1265 O ILE A 80 1.747 4.103 -7.642 1.00 0.50 O ATOM 1266 CB ILE A 80 1.801 0.789 -7.104 1.00 0.42 C ATOM 1267 CG1 ILE A 80 1.326 -0.138 -5.982 1.00 0.47 C ATOM 1268 CG2 ILE A 80 3.195 1.328 -6.746 1.00 0.49 C ATOM 1269 CD1 ILE A 80 2.231 -1.369 -5.910 1.00 1.30 C ATOM 0 H ILE A 80 -0.345 0.539 -8.409 1.00 0.35 H new ATOM 0 HA ILE A 80 0.574 2.333 -6.263 1.00 0.35 H new ATOM 0 HB ILE A 80 1.868 0.252 -8.050 1.00 0.42 H new ATOM 0 HG12 ILE A 80 1.340 0.392 -5.029 1.00 0.47 H new ATOM 0 HG13 ILE A 80 0.295 -0.443 -6.162 1.00 0.47 H new ATOM 0 HG21 ILE A 80 3.892 0.496 -6.643 1.00 0.49 H new ATOM 0 HG22 ILE A 80 3.541 1.996 -7.535 1.00 0.49 H new ATOM 0 HG23 ILE A 80 3.143 1.875 -5.805 1.00 0.49 H new ATOM 0 HD11 ILE A 80 1.889 -2.026 -5.110 1.00 1.30 H new ATOM 0 HD12 ILE A 80 2.194 -1.904 -6.859 1.00 1.30 H new ATOM 0 HD13 ILE A 80 3.256 -1.056 -5.709 1.00 1.30 H new ATOM 1281 N LYS A 81 1.338 2.880 -9.430 1.00 0.36 N ATOM 1282 CA LYS A 81 1.843 3.943 -10.346 1.00 0.44 C ATOM 1283 C LYS A 81 0.847 5.107 -10.335 1.00 0.43 C ATOM 1284 O LYS A 81 1.218 6.257 -10.473 1.00 0.48 O ATOM 1285 CB LYS A 81 1.969 3.373 -11.767 1.00 0.54 C ATOM 1286 CG LYS A 81 3.440 3.381 -12.204 1.00 1.02 C ATOM 1287 CD LYS A 81 4.036 1.983 -12.025 1.00 1.50 C ATOM 1288 CE LYS A 81 3.790 1.160 -13.292 1.00 1.57 C ATOM 1289 NZ LYS A 81 4.674 1.655 -14.383 1.00 2.35 N ATOM 0 H LYS A 81 1.007 2.033 -9.892 1.00 0.36 H new ATOM 0 HA LYS A 81 2.822 4.293 -10.018 1.00 0.44 H new ATOM 0 HB2 LYS A 81 1.577 2.356 -11.796 1.00 0.54 H new ATOM 0 HB3 LYS A 81 1.371 3.965 -12.460 1.00 0.54 H new ATOM 0 HG2 LYS A 81 3.519 3.690 -13.246 1.00 1.02 H new ATOM 0 HG3 LYS A 81 4.001 4.105 -11.614 1.00 1.02 H new ATOM 0 HD2 LYS A 81 5.105 2.054 -11.826 1.00 1.50 H new ATOM 0 HD3 LYS A 81 3.584 1.490 -11.164 1.00 1.50 H new ATOM 0 HE2 LYS A 81 3.988 0.106 -13.098 1.00 1.57 H new ATOM 0 HE3 LYS A 81 2.745 1.238 -13.592 1.00 1.57 H new ATOM 0 HZ1 LYS A 81 4.851 0.887 -15.062 1.00 2.35 H new ATOM 0 HZ2 LYS A 81 4.212 2.449 -14.871 1.00 2.35 H new ATOM 0 HZ3 LYS A 81 5.578 1.975 -13.979 1.00 2.35 H new ATOM 1303 N GLU A 82 -0.415 4.805 -10.165 1.00 0.41 N ATOM 1304 CA GLU A 82 -1.455 5.873 -10.135 1.00 0.44 C ATOM 1305 C GLU A 82 -1.282 6.719 -8.870 1.00 0.38 C ATOM 1306 O GLU A 82 -1.382 7.931 -8.906 1.00 0.46 O ATOM 1307 CB GLU A 82 -2.840 5.223 -10.128 1.00 0.48 C ATOM 1308 CG GLU A 82 -3.880 6.227 -10.627 1.00 0.60 C ATOM 1309 CD GLU A 82 -3.953 6.171 -12.154 1.00 1.22 C ATOM 1310 OE1 GLU A 82 -3.166 6.852 -12.791 1.00 1.94 O ATOM 1311 OE2 GLU A 82 -4.794 5.447 -12.662 1.00 1.98 O ATOM 0 H GLU A 82 -0.770 3.856 -10.045 1.00 0.41 H new ATOM 0 HA GLU A 82 -1.352 6.511 -11.013 1.00 0.44 H new ATOM 0 HB2 GLU A 82 -2.840 4.337 -10.763 1.00 0.48 H new ATOM 0 HB3 GLU A 82 -3.093 4.893 -9.121 1.00 0.48 H new ATOM 0 HG2 GLU A 82 -4.856 6.000 -10.197 1.00 0.60 H new ATOM 0 HG3 GLU A 82 -3.615 7.233 -10.302 1.00 0.60 H new ATOM 1318 N PHE A 83 -1.023 6.086 -7.751 1.00 0.33 N ATOM 1319 CA PHE A 83 -0.843 6.848 -6.479 1.00 0.31 C ATOM 1320 C PHE A 83 0.537 7.507 -6.471 1.00 0.33 C ATOM 1321 O PHE A 83 0.709 8.600 -5.963 1.00 0.36 O ATOM 1322 CB PHE A 83 -0.949 5.895 -5.284 1.00 0.34 C ATOM 1323 CG PHE A 83 -2.391 5.501 -5.061 1.00 0.29 C ATOM 1324 CD1 PHE A 83 -3.389 6.481 -4.985 1.00 1.23 C ATOM 1325 CD2 PHE A 83 -2.729 4.150 -4.923 1.00 1.26 C ATOM 1326 CE1 PHE A 83 -4.721 6.108 -4.776 1.00 1.21 C ATOM 1327 CE2 PHE A 83 -4.061 3.777 -4.712 1.00 1.35 C ATOM 1328 CZ PHE A 83 -5.057 4.757 -4.639 1.00 0.52 C ATOM 0 H PHE A 83 -0.929 5.074 -7.665 1.00 0.33 H new ATOM 0 HA PHE A 83 -1.618 7.611 -6.407 1.00 0.31 H new ATOM 0 HB2 PHE A 83 -0.344 5.006 -5.463 1.00 0.34 H new ATOM 0 HB3 PHE A 83 -0.552 6.375 -4.389 1.00 0.34 H new ATOM 0 HD1 PHE A 83 -3.130 7.524 -5.088 1.00 1.23 H new ATOM 0 HD2 PHE A 83 -1.960 3.394 -4.979 1.00 1.26 H new ATOM 0 HE1 PHE A 83 -5.491 6.864 -4.720 1.00 1.21 H new ATOM 0 HE2 PHE A 83 -4.320 2.734 -4.606 1.00 1.35 H new ATOM 0 HZ PHE A 83 -6.086 4.470 -4.477 1.00 0.52 H new ATOM 1338 N ASP A 84 1.522 6.849 -7.029 1.00 0.37 N ATOM 1339 CA ASP A 84 2.897 7.427 -7.058 1.00 0.44 C ATOM 1340 C ASP A 84 2.879 8.749 -7.830 1.00 0.48 C ATOM 1341 O ASP A 84 3.594 9.679 -7.506 1.00 0.52 O ATOM 1342 CB ASP A 84 3.845 6.448 -7.753 1.00 0.51 C ATOM 1343 CG ASP A 84 5.268 6.656 -7.232 1.00 0.58 C ATOM 1344 OD1 ASP A 84 5.623 7.794 -6.973 1.00 1.12 O ATOM 1345 OD2 ASP A 84 5.980 5.673 -7.102 1.00 1.35 O ATOM 0 H ASP A 84 1.431 5.932 -7.467 1.00 0.37 H new ATOM 0 HA ASP A 84 3.238 7.605 -6.038 1.00 0.44 H new ATOM 0 HB2 ASP A 84 3.525 5.423 -7.568 1.00 0.51 H new ATOM 0 HB3 ASP A 84 3.816 6.601 -8.832 1.00 0.51 H new ATOM 1350 N ALA A 85 2.065 8.831 -8.851 1.00 0.51 N ATOM 1351 CA ALA A 85 1.985 10.083 -9.659 1.00 0.57 C ATOM 1352 C ALA A 85 1.079 11.103 -8.959 1.00 0.53 C ATOM 1353 O ALA A 85 1.194 12.293 -9.181 1.00 0.57 O ATOM 1354 CB ALA A 85 1.410 9.761 -11.039 1.00 0.66 C ATOM 0 H ALA A 85 1.449 8.079 -9.161 1.00 0.51 H new ATOM 0 HA ALA A 85 2.985 10.504 -9.764 1.00 0.57 H new ATOM 0 HB1 ALA A 85 1.351 10.675 -11.631 1.00 0.66 H new ATOM 0 HB2 ALA A 85 2.056 9.043 -11.544 1.00 0.66 H new ATOM 0 HB3 ALA A 85 0.413 9.336 -10.927 1.00 0.66 H new ATOM 1360 N GLN A 86 0.178 10.648 -8.120 1.00 0.49 N ATOM 1361 CA GLN A 86 -0.734 11.590 -7.413 1.00 0.49 C ATOM 1362 C GLN A 86 -0.042 12.178 -6.170 1.00 0.46 C ATOM 1363 O GLN A 86 -0.657 12.900 -5.406 1.00 0.47 O ATOM 1364 CB GLN A 86 -2.001 10.834 -6.986 1.00 0.48 C ATOM 1365 CG GLN A 86 -3.186 11.274 -7.851 1.00 0.58 C ATOM 1366 CD GLN A 86 -4.467 11.271 -7.012 1.00 1.15 C ATOM 1367 OE1 GLN A 86 -4.418 11.397 -5.804 1.00 1.96 O ATOM 1368 NE2 GLN A 86 -5.621 11.134 -7.606 1.00 1.72 N ATOM 0 H GLN A 86 0.038 9.662 -7.897 1.00 0.49 H new ATOM 0 HA GLN A 86 -0.995 12.407 -8.085 1.00 0.49 H new ATOM 0 HB2 GLN A 86 -1.845 9.760 -7.086 1.00 0.48 H new ATOM 0 HB3 GLN A 86 -2.214 11.029 -5.935 1.00 0.48 H new ATOM 0 HG2 GLN A 86 -3.005 12.271 -8.252 1.00 0.58 H new ATOM 0 HG3 GLN A 86 -3.296 10.603 -8.703 1.00 0.58 H new ATOM 0 HE21 GLN A 86 -5.663 11.028 -8.620 1.00 1.72 H new ATOM 0 HE22 GLN A 86 -6.480 11.133 -7.057 1.00 1.72 H new ATOM 1377 N GLY A 87 1.220 11.879 -5.953 1.00 0.44 N ATOM 1378 CA GLY A 87 1.924 12.424 -4.756 1.00 0.45 C ATOM 1379 C GLY A 87 1.425 11.703 -3.502 1.00 0.41 C ATOM 1380 O GLY A 87 1.424 12.256 -2.418 1.00 0.43 O ATOM 0 H GLY A 87 1.787 11.282 -6.555 1.00 0.44 H new ATOM 0 HA2 GLY A 87 3.001 12.291 -4.861 1.00 0.45 H new ATOM 0 HA3 GLY A 87 1.742 13.495 -4.670 1.00 0.45 H new ATOM 1384 N VAL A 88 1.002 10.472 -3.646 1.00 0.37 N ATOM 1385 CA VAL A 88 0.502 9.704 -2.470 1.00 0.34 C ATOM 1386 C VAL A 88 1.446 8.531 -2.202 1.00 0.33 C ATOM 1387 O VAL A 88 2.047 7.988 -3.109 1.00 0.37 O ATOM 1388 CB VAL A 88 -0.909 9.180 -2.765 1.00 0.36 C ATOM 1389 CG1 VAL A 88 -1.448 8.418 -1.551 1.00 0.35 C ATOM 1390 CG2 VAL A 88 -1.836 10.359 -3.074 1.00 0.39 C ATOM 0 H VAL A 88 0.982 9.966 -4.532 1.00 0.37 H new ATOM 0 HA VAL A 88 0.466 10.350 -1.593 1.00 0.34 H new ATOM 0 HB VAL A 88 -0.868 8.508 -3.622 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -2.450 8.049 -1.769 1.00 0.35 H new ATOM 0 HG12 VAL A 88 -0.792 7.576 -1.329 1.00 0.35 H new ATOM 0 HG13 VAL A 88 -1.486 9.085 -0.690 1.00 0.35 H new ATOM 0 HG21 VAL A 88 -2.839 9.988 -3.284 1.00 0.39 H new ATOM 0 HG22 VAL A 88 -1.870 11.030 -2.216 1.00 0.39 H new ATOM 0 HG23 VAL A 88 -1.460 10.899 -3.943 1.00 0.39 H new ATOM 1400 N SER A 89 1.578 8.141 -0.961 1.00 0.32 N ATOM 1401 CA SER A 89 2.482 7.005 -0.623 1.00 0.33 C ATOM 1402 C SER A 89 1.648 5.759 -0.329 1.00 0.34 C ATOM 1403 O SER A 89 0.454 5.836 -0.112 1.00 0.60 O ATOM 1404 CB SER A 89 3.316 7.361 0.609 1.00 0.36 C ATOM 1405 OG SER A 89 4.550 7.932 0.192 1.00 0.46 O ATOM 0 H SER A 89 1.097 8.562 -0.166 1.00 0.32 H new ATOM 0 HA SER A 89 3.145 6.809 -1.465 1.00 0.33 H new ATOM 0 HB2 SER A 89 2.772 8.064 1.240 1.00 0.36 H new ATOM 0 HB3 SER A 89 3.499 6.469 1.209 1.00 0.36 H new ATOM 0 HG SER A 89 5.086 8.163 0.979 1.00 0.46 H new ATOM 1411 N ILE A 90 2.276 4.611 -0.317 1.00 0.25 N ATOM 1412 CA ILE A 90 1.539 3.348 -0.031 1.00 0.23 C ATOM 1413 C ILE A 90 2.383 2.490 0.911 1.00 0.25 C ATOM 1414 O ILE A 90 3.363 1.901 0.504 1.00 0.35 O ATOM 1415 CB ILE A 90 1.299 2.580 -1.333 1.00 0.24 C ATOM 1416 CG1 ILE A 90 0.649 3.506 -2.366 1.00 0.25 C ATOM 1417 CG2 ILE A 90 0.378 1.391 -1.053 1.00 0.25 C ATOM 1418 CD1 ILE A 90 0.490 2.765 -3.694 1.00 0.28 C ATOM 0 H ILE A 90 3.274 4.496 -0.494 1.00 0.25 H new ATOM 0 HA ILE A 90 0.579 3.581 0.429 1.00 0.23 H new ATOM 0 HB ILE A 90 2.250 2.220 -1.726 1.00 0.24 H new ATOM 0 HG12 ILE A 90 -0.324 3.841 -2.007 1.00 0.25 H new ATOM 0 HG13 ILE A 90 1.261 4.397 -2.506 1.00 0.25 H new ATOM 0 HG21 ILE A 90 0.204 0.840 -1.977 1.00 0.25 H new ATOM 0 HG22 ILE A 90 0.846 0.733 -0.321 1.00 0.25 H new ATOM 0 HG23 ILE A 90 -0.573 1.752 -0.661 1.00 0.25 H new ATOM 0 HD11 ILE A 90 0.027 3.426 -4.427 1.00 0.28 H new ATOM 0 HD12 ILE A 90 1.469 2.452 -4.055 1.00 0.28 H new ATOM 0 HD13 ILE A 90 -0.140 1.888 -3.548 1.00 0.28 H new ATOM 1430 N ARG A 91 2.015 2.421 2.164 1.00 0.25 N ATOM 1431 CA ARG A 91 2.805 1.611 3.136 1.00 0.28 C ATOM 1432 C ARG A 91 2.479 0.126 2.949 1.00 0.27 C ATOM 1433 O ARG A 91 1.415 -0.229 2.479 1.00 0.36 O ATOM 1434 CB ARG A 91 2.451 2.048 4.558 1.00 0.35 C ATOM 1435 CG ARG A 91 2.998 3.455 4.803 1.00 0.43 C ATOM 1436 CD ARG A 91 3.327 3.628 6.286 1.00 0.70 C ATOM 1437 NE ARG A 91 4.519 4.521 6.434 1.00 1.26 N ATOM 1438 CZ ARG A 91 4.804 5.104 7.583 1.00 1.60 C ATOM 1439 NH1 ARG A 91 4.060 4.922 8.650 1.00 1.92 N ATOM 1440 NH2 ARG A 91 5.852 5.877 7.663 1.00 2.22 N ATOM 0 H ARG A 91 1.200 2.892 2.556 1.00 0.25 H new ATOM 0 HA ARG A 91 3.870 1.765 2.965 1.00 0.28 H new ATOM 0 HB2 ARG A 91 1.370 2.036 4.696 1.00 0.35 H new ATOM 0 HB3 ARG A 91 2.873 1.350 5.281 1.00 0.35 H new ATOM 0 HG2 ARG A 91 3.892 3.618 4.201 1.00 0.43 H new ATOM 0 HG3 ARG A 91 2.265 4.200 4.494 1.00 0.43 H new ATOM 0 HD2 ARG A 91 2.473 4.055 6.811 1.00 0.70 H new ATOM 0 HD3 ARG A 91 3.528 2.658 6.740 1.00 0.70 H new ATOM 0 HE ARG A 91 5.124 4.682 5.629 1.00 1.26 H new ATOM 0 HH11 ARG A 91 3.239 4.318 8.603 1.00 1.92 H new ATOM 0 HH12 ARG A 91 4.303 5.385 9.526 1.00 1.92 H new ATOM 0 HH21 ARG A 91 6.440 6.025 6.843 1.00 2.22 H new ATOM 0 HH22 ARG A 91 6.083 6.333 8.545 1.00 2.22 H new ATOM 1454 N PHE A 92 3.398 -0.741 3.300 1.00 0.38 N ATOM 1455 CA PHE A 92 3.157 -2.201 3.130 1.00 0.43 C ATOM 1456 C PHE A 92 3.453 -2.932 4.438 1.00 0.50 C ATOM 1457 O PHE A 92 4.559 -2.897 4.940 1.00 0.63 O ATOM 1458 CB PHE A 92 4.078 -2.735 2.030 1.00 0.46 C ATOM 1459 CG PHE A 92 3.585 -2.254 0.687 1.00 0.49 C ATOM 1460 CD1 PHE A 92 2.275 -2.536 0.288 1.00 1.20 C ATOM 1461 CD2 PHE A 92 4.435 -1.530 -0.157 1.00 1.40 C ATOM 1462 CE1 PHE A 92 1.810 -2.094 -0.956 1.00 1.21 C ATOM 1463 CE2 PHE A 92 3.970 -1.087 -1.402 1.00 1.58 C ATOM 1464 CZ PHE A 92 2.658 -1.370 -1.801 1.00 0.88 C ATOM 0 H PHE A 92 4.305 -0.496 3.697 1.00 0.38 H new ATOM 0 HA PHE A 92 2.115 -2.367 2.856 1.00 0.43 H new ATOM 0 HB2 PHE A 92 5.100 -2.394 2.198 1.00 0.46 H new ATOM 0 HB3 PHE A 92 4.098 -3.825 2.054 1.00 0.46 H new ATOM 0 HD1 PHE A 92 1.621 -3.096 0.940 1.00 1.20 H new ATOM 0 HD2 PHE A 92 5.447 -1.313 0.151 1.00 1.40 H new ATOM 0 HE1 PHE A 92 0.798 -2.312 -1.263 1.00 1.21 H new ATOM 0 HE2 PHE A 92 4.624 -0.527 -2.054 1.00 1.58 H new ATOM 0 HZ PHE A 92 2.301 -1.029 -2.761 1.00 0.88 H new ATOM 1474 N ILE A 93 2.473 -3.600 4.989 1.00 0.56 N ATOM 1475 CA ILE A 93 2.688 -4.346 6.263 1.00 0.66 C ATOM 1476 C ILE A 93 3.776 -5.417 6.061 1.00 0.74 C ATOM 1477 O ILE A 93 4.396 -5.864 7.006 1.00 1.11 O ATOM 1478 CB ILE A 93 1.367 -5.004 6.690 1.00 0.80 C ATOM 1479 CG1 ILE A 93 1.567 -5.769 8.004 1.00 0.91 C ATOM 1480 CG2 ILE A 93 0.891 -5.973 5.604 1.00 0.90 C ATOM 1481 CD1 ILE A 93 1.895 -4.781 9.125 1.00 1.71 C ATOM 0 H ILE A 93 1.529 -3.661 4.609 1.00 0.56 H new ATOM 0 HA ILE A 93 3.016 -3.658 7.043 1.00 0.66 H new ATOM 0 HB ILE A 93 0.616 -4.227 6.834 1.00 0.80 H new ATOM 0 HG12 ILE A 93 0.666 -6.330 8.251 1.00 0.91 H new ATOM 0 HG13 ILE A 93 2.374 -6.494 7.896 1.00 0.91 H new ATOM 0 HG21 ILE A 93 -0.046 -6.435 5.914 1.00 0.90 H new ATOM 0 HG22 ILE A 93 0.736 -5.428 4.673 1.00 0.90 H new ATOM 0 HG23 ILE A 93 1.644 -6.746 5.451 1.00 0.90 H new ATOM 0 HD11 ILE A 93 2.037 -5.325 10.059 1.00 1.71 H new ATOM 0 HD12 ILE A 93 2.808 -4.240 8.877 1.00 1.71 H new ATOM 0 HD13 ILE A 93 1.074 -4.074 9.238 1.00 1.71 H new ATOM 1493 N ASP A 94 4.001 -5.831 4.838 1.00 0.85 N ATOM 1494 CA ASP A 94 5.033 -6.874 4.570 1.00 1.11 C ATOM 1495 C ASP A 94 6.421 -6.363 4.968 1.00 1.11 C ATOM 1496 O ASP A 94 7.304 -7.142 5.278 1.00 1.41 O ATOM 1497 CB ASP A 94 5.030 -7.216 3.079 1.00 1.47 C ATOM 1498 CG ASP A 94 5.647 -8.600 2.871 1.00 2.09 C ATOM 1499 OD1 ASP A 94 6.848 -8.723 3.049 1.00 2.74 O ATOM 1500 OD2 ASP A 94 4.910 -9.511 2.536 1.00 2.61 O ATOM 0 H ASP A 94 3.511 -5.488 4.012 1.00 0.85 H new ATOM 0 HA ASP A 94 4.800 -7.762 5.157 1.00 1.11 H new ATOM 0 HB2 ASP A 94 4.011 -7.199 2.693 1.00 1.47 H new ATOM 0 HB3 ASP A 94 5.594 -6.467 2.522 1.00 1.47 H new ATOM 1505 N ASP A 95 6.628 -5.067 4.954 1.00 1.05 N ATOM 1506 CA ASP A 95 7.970 -4.524 5.324 1.00 1.36 C ATOM 1507 C ASP A 95 7.811 -3.297 6.225 1.00 1.35 C ATOM 1508 O ASP A 95 8.513 -3.145 7.208 1.00 1.93 O ATOM 1509 CB ASP A 95 8.721 -4.123 4.053 1.00 1.61 C ATOM 1510 CG ASP A 95 10.228 -4.183 4.306 1.00 2.37 C ATOM 1511 OD1 ASP A 95 10.653 -3.713 5.348 1.00 2.89 O ATOM 1512 OD2 ASP A 95 10.932 -4.699 3.452 1.00 2.95 O ATOM 0 H ASP A 95 5.929 -4.367 4.704 1.00 1.05 H new ATOM 0 HA ASP A 95 8.529 -5.291 5.860 1.00 1.36 H new ATOM 0 HB2 ASP A 95 8.453 -4.791 3.234 1.00 1.61 H new ATOM 0 HB3 ASP A 95 8.433 -3.116 3.751 1.00 1.61 H new ATOM 1517 N GLY A 96 6.906 -2.418 5.887 1.00 1.18 N ATOM 1518 CA GLY A 96 6.703 -1.188 6.708 1.00 1.52 C ATOM 1519 C GLY A 96 6.770 0.044 5.802 1.00 1.59 C ATOM 1520 O GLY A 96 6.220 1.084 6.113 1.00 1.91 O ATOM 0 H GLY A 96 6.296 -2.499 5.074 1.00 1.18 H new ATOM 0 HA2 GLY A 96 5.738 -1.230 7.213 1.00 1.52 H new ATOM 0 HA3 GLY A 96 7.466 -1.125 7.484 1.00 1.52 H new ATOM 1524 N ILE A 97 7.443 -0.066 4.685 1.00 1.58 N ATOM 1525 CA ILE A 97 7.556 1.089 3.750 1.00 1.87 C ATOM 1526 C ILE A 97 6.817 0.769 2.453 1.00 1.94 C ATOM 1527 O ILE A 97 6.193 -0.268 2.322 1.00 2.30 O ATOM 1528 CB ILE A 97 9.031 1.382 3.432 1.00 2.03 C ATOM 1529 CG1 ILE A 97 9.811 0.069 3.259 1.00 2.00 C ATOM 1530 CG2 ILE A 97 9.641 2.198 4.576 1.00 2.65 C ATOM 1531 CD1 ILE A 97 11.255 0.368 2.856 1.00 2.60 C ATOM 0 H ILE A 97 7.922 -0.914 4.380 1.00 1.58 H new ATOM 0 HA ILE A 97 7.115 1.966 4.224 1.00 1.87 H new ATOM 0 HB ILE A 97 9.091 1.948 2.502 1.00 2.03 H new ATOM 0 HG12 ILE A 97 9.795 -0.499 4.189 1.00 2.00 H new ATOM 0 HG13 ILE A 97 9.333 -0.550 2.499 1.00 2.00 H new ATOM 0 HG21 ILE A 97 10.687 2.408 4.355 1.00 2.65 H new ATOM 0 HG22 ILE A 97 9.097 3.136 4.684 1.00 2.65 H new ATOM 0 HG23 ILE A 97 9.573 1.631 5.504 1.00 2.65 H new ATOM 0 HD11 ILE A 97 11.800 -0.568 2.736 1.00 2.60 H new ATOM 0 HD12 ILE A 97 11.264 0.917 1.914 1.00 2.60 H new ATOM 0 HD13 ILE A 97 11.732 0.969 3.630 1.00 2.60 H new ATOM 1543 N SER A 98 6.881 1.656 1.495 1.00 2.05 N ATOM 1544 CA SER A 98 6.183 1.418 0.202 1.00 2.38 C ATOM 1545 C SER A 98 7.099 0.651 -0.748 1.00 1.97 C ATOM 1546 O SER A 98 8.133 0.141 -0.357 1.00 2.33 O ATOM 1547 CB SER A 98 5.804 2.757 -0.431 1.00 2.92 C ATOM 1548 OG SER A 98 5.193 3.586 0.549 1.00 3.84 O ATOM 0 H SER A 98 7.389 2.538 1.555 1.00 2.05 H new ATOM 0 HA SER A 98 5.282 0.833 0.386 1.00 2.38 H new ATOM 0 HB2 SER A 98 6.691 3.245 -0.834 1.00 2.92 H new ATOM 0 HB3 SER A 98 5.121 2.597 -1.265 1.00 2.92 H new ATOM 0 HG SER A 98 4.628 3.039 1.134 1.00 3.84 H new ATOM 1554 N THR A 99 6.721 0.568 -1.996 1.00 1.86 N ATOM 1555 CA THR A 99 7.547 -0.162 -2.994 1.00 2.28 C ATOM 1556 C THR A 99 8.779 0.677 -3.347 1.00 2.30 C ATOM 1557 O THR A 99 8.882 1.223 -4.430 1.00 2.79 O ATOM 1558 CB THR A 99 6.708 -0.414 -4.251 1.00 2.75 C ATOM 1559 OG1 THR A 99 7.512 -1.051 -5.234 1.00 3.66 O ATOM 1560 CG2 THR A 99 6.180 0.916 -4.802 1.00 2.42 C ATOM 0 H THR A 99 5.865 0.980 -2.368 1.00 1.86 H new ATOM 0 HA THR A 99 7.873 -1.116 -2.580 1.00 2.28 H new ATOM 0 HB THR A 99 5.863 -1.055 -3.998 1.00 2.75 H new ATOM 0 HG1 THR A 99 6.986 -1.741 -5.690 1.00 3.66 H new ATOM 0 HG21 THR A 99 5.584 0.729 -5.696 1.00 2.42 H new ATOM 0 HG22 THR A 99 5.560 1.402 -4.048 1.00 2.42 H new ATOM 0 HG23 THR A 99 7.019 1.564 -5.054 1.00 2.42 H new ATOM 1568 N ASP A 100 9.714 0.777 -2.438 1.00 2.14 N ATOM 1569 CA ASP A 100 10.944 1.571 -2.711 1.00 2.70 C ATOM 1570 C ASP A 100 11.832 0.791 -3.685 1.00 3.51 C ATOM 1571 O ASP A 100 12.921 0.364 -3.347 1.00 4.07 O ATOM 1572 CB ASP A 100 11.690 1.810 -1.394 1.00 2.61 C ATOM 1573 CG ASP A 100 12.673 2.969 -1.564 1.00 3.35 C ATOM 1574 OD1 ASP A 100 12.312 3.937 -2.214 1.00 3.83 O ATOM 1575 OD2 ASP A 100 13.771 2.872 -1.041 1.00 3.78 O ATOM 0 H ASP A 100 9.677 0.341 -1.517 1.00 2.14 H new ATOM 0 HA ASP A 100 10.683 2.533 -3.152 1.00 2.70 H new ATOM 0 HB2 ASP A 100 10.980 2.036 -0.598 1.00 2.61 H new ATOM 0 HB3 ASP A 100 12.224 0.907 -1.098 1.00 2.61 H new ATOM 1580 N GLY A 101 11.366 0.596 -4.895 1.00 3.84 N ATOM 1581 CA GLY A 101 12.167 -0.161 -5.900 1.00 4.75 C ATOM 1582 C GLY A 101 11.229 -0.833 -6.907 1.00 4.74 C ATOM 1583 O GLY A 101 11.087 -2.042 -6.926 1.00 5.31 O ATOM 0 H GLY A 101 10.462 0.931 -5.228 1.00 3.84 H new ATOM 0 HA2 GLY A 101 12.849 0.513 -6.418 1.00 4.75 H new ATOM 0 HA3 GLY A 101 12.779 -0.912 -5.401 1.00 4.75 H new ATOM 1587 N GLU A 102 10.594 -0.055 -7.745 1.00 4.45 N ATOM 1588 CA GLU A 102 9.664 -0.632 -8.762 1.00 4.87 C ATOM 1589 C GLU A 102 9.898 0.063 -10.107 1.00 5.60 C ATOM 1590 O GLU A 102 9.120 0.900 -10.527 1.00 5.95 O ATOM 1591 CB GLU A 102 8.213 -0.407 -8.315 1.00 4.65 C ATOM 1592 CG GLU A 102 8.001 1.075 -7.980 1.00 4.40 C ATOM 1593 CD GLU A 102 6.633 1.531 -8.494 1.00 4.92 C ATOM 1594 OE1 GLU A 102 5.653 0.886 -8.162 1.00 5.37 O ATOM 1595 OE2 GLU A 102 6.591 2.517 -9.211 1.00 5.25 O ATOM 0 H GLU A 102 10.680 0.961 -7.769 1.00 4.45 H new ATOM 0 HA GLU A 102 9.848 -1.701 -8.864 1.00 4.87 H new ATOM 0 HB2 GLU A 102 7.527 -0.713 -9.105 1.00 4.65 H new ATOM 0 HB3 GLU A 102 7.991 -1.023 -7.443 1.00 4.65 H new ATOM 0 HG2 GLU A 102 8.064 1.227 -6.902 1.00 4.40 H new ATOM 0 HG3 GLU A 102 8.789 1.676 -8.433 1.00 4.40 H new ATOM 1602 N MET A 103 10.969 -0.273 -10.784 1.00 6.09 N ATOM 1603 CA MET A 103 11.265 0.365 -12.095 1.00 6.94 C ATOM 1604 C MET A 103 11.685 -0.711 -13.092 1.00 7.42 C ATOM 1605 O MET A 103 11.842 -1.866 -12.741 1.00 7.81 O ATOM 1606 CB MET A 103 12.407 1.371 -11.928 1.00 7.51 C ATOM 1607 CG MET A 103 11.952 2.526 -11.031 1.00 7.73 C ATOM 1608 SD MET A 103 13.342 3.097 -10.021 1.00 8.80 S ATOM 1609 CE MET A 103 13.808 4.506 -11.056 1.00 9.45 C ATOM 0 H MET A 103 11.652 -0.966 -10.479 1.00 6.09 H new ATOM 0 HA MET A 103 10.376 0.881 -12.459 1.00 6.94 H new ATOM 0 HB2 MET A 103 13.276 0.879 -11.491 1.00 7.51 H new ATOM 0 HB3 MET A 103 12.713 1.753 -12.902 1.00 7.51 H new ATOM 0 HG2 MET A 103 11.572 3.346 -11.641 1.00 7.73 H new ATOM 0 HG3 MET A 103 11.133 2.200 -10.389 1.00 7.73 H new ATOM 0 HE1 MET A 103 14.664 5.016 -10.613 1.00 9.45 H new ATOM 0 HE2 MET A 103 14.072 4.153 -12.053 1.00 9.45 H new ATOM 0 HE3 MET A 103 12.969 5.199 -11.126 1.00 9.45 H new ATOM 1619 N GLY A 104 11.875 -0.339 -14.331 1.00 7.70 N ATOM 1620 CA GLY A 104 12.291 -1.338 -15.353 1.00 8.45 C ATOM 1621 C GLY A 104 13.812 -1.302 -15.510 1.00 9.33 C ATOM 1622 O GLY A 104 14.329 -1.185 -16.605 1.00 9.91 O ATOM 0 H GLY A 104 11.760 0.614 -14.677 1.00 7.70 H new ATOM 0 HA2 GLY A 104 11.969 -2.336 -15.054 1.00 8.45 H new ATOM 0 HA3 GLY A 104 11.811 -1.120 -16.307 1.00 8.45 H new ATOM 1626 N LYS A 105 14.531 -1.401 -14.419 1.00 9.63 N ATOM 1627 CA LYS A 105 16.022 -1.372 -14.492 1.00 10.67 C ATOM 1628 C LYS A 105 16.517 -2.573 -15.301 1.00 10.61 C ATOM 1629 O LYS A 105 16.781 -2.400 -16.479 1.00 10.71 O ATOM 1630 CB LYS A 105 16.607 -1.440 -13.078 1.00 11.31 C ATOM 1631 CG LYS A 105 16.360 -0.116 -12.352 1.00 11.78 C ATOM 1632 CD LYS A 105 16.811 -0.247 -10.894 1.00 12.67 C ATOM 1633 CE LYS A 105 18.341 -0.314 -10.821 1.00 12.97 C ATOM 1634 NZ LYS A 105 18.754 -1.592 -10.174 1.00 13.86 N ATOM 0 H LYS A 105 14.147 -1.501 -13.479 1.00 9.63 H new ATOM 0 HA LYS A 105 16.341 -0.448 -14.975 1.00 10.67 H new ATOM 0 HB2 LYS A 105 16.150 -2.260 -12.524 1.00 11.31 H new ATOM 0 HB3 LYS A 105 17.676 -1.645 -13.126 1.00 11.31 H new ATOM 0 HG2 LYS A 105 16.907 0.689 -12.843 1.00 11.78 H new ATOM 0 HG3 LYS A 105 15.302 0.144 -12.396 1.00 11.78 H new ATOM 0 HD2 LYS A 105 16.448 0.602 -10.315 1.00 12.67 H new ATOM 0 HD3 LYS A 105 16.378 -1.144 -10.450 1.00 12.67 H new ATOM 0 HE2 LYS A 105 18.766 -0.247 -11.822 1.00 12.97 H new ATOM 0 HE3 LYS A 105 18.726 0.534 -10.254 1.00 12.97 H new ATOM 0 HZ1 LYS A 105 19.792 -1.637 -10.125 1.00 13.86 H new ATOM 0 HZ2 LYS A 105 18.360 -1.638 -9.213 1.00 13.86 H new ATOM 0 HZ3 LYS A 105 18.399 -2.394 -10.732 1.00 13.86 H new TER 1648 LYS A 105 END